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ONTOLOGY REPORT - ANNOTATIONS


Term:hederagenin
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Accession:CHEBI:69579 term browser browse the term
Definition:A sapogenin that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 3 and 23 (the 3beta stereoisomer).
Synonyms:exact_synonym: (3beta)-3,23-dihydroxyolean-12-en-28-oic acid
 related_synonym: Astrantiagenin E;   Caulosapogenin;   Formula=C30H48O4;   Hederagenic acid;   Hederagenol;   InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1;   InChIKey=PGOYMURMZNDHNS-MYPRUECHSA-N;   SMILES=[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O
 xref: CAS:465-99-6 "ChemIDplus";   MetaCyc:CPD-9481;   PMID:22005599 "Europe PMC";   PMID:23530040 "Europe PMC";   Patent:CN101564405;   Patent:CN102633857;   Patent:CN102697791;   Reaxys:2711855 "Reaxys";   Wikipedia:Hederagenin
 cyclic_relationship: is_conjugate_acid_of CHEBI:140466


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Symbol Object Name JBrowse Chr Start Stop Reference
G Ahr aryl hydrocarbon receptor JBrowse link 6 54,963,990 55,001,806 RGD:6480464
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 JBrowse link 8 62,472,087 62,478,122 RGD:6480464
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 JBrowse link 8 62,451,360 62,458,244 RGD:6480464
G Cyp2b1 cytochrome P450, family 2, subfamily b, polypeptide 1 JBrowse link 7 99,142,431 99,183,540 RGD:6480464
G Cyp2e1 cytochrome P450, family 2, subfamily e, polypeptide 1 JBrowse link 1 213,511,892 213,522,195 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19728
    role 19675
      biological role 19673
        biochemical role 19178
          metabolite 19150
            eukaryotic metabolite 18769
              plant metabolite 17110
                hederagenin 5
                  3-O-[2,3-di-O-acetyl-alpha-L-arabinopyranosyl]-hederagenin 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside 0
                  3-O-[3,4-di-O-acetyl-alpha-L-arabinopyranosyl]hederagenin 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside 0
                  cauloside D 0
                  dipsacussaponin A 0
                  hederagenin 28-O-beta-D-glucopyranoside 0
                  hederagenin 3-O-arabinoside 0
                  kalopanaxsaponin A 5
                  kalopanaxsaponin B 0
                  kalopanaxsaponin C 0
                  salzmannianoside B 0
                  sieboldianoside A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19728
    subatomic particle 19724
      composite particle 19724
        hadron 19724
          baryon 19724
            nucleon 19724
              atomic nucleus 19724
                atom 19724
                  main group element atom 19610
                    p-block element atom 19610
                      carbon group element atom 19501
                        carbon atom 19494
                          organic molecular entity 19494
                            organic group 18413
                              organic divalent group 18404
                                organodiyl group 18404
                                  carbonyl group 18293
                                    carbonyl compound 18293
                                      carboxylic acid 17960
                                        hydroxy carboxylic acid 3594
                                          hydroxy monocarboxylic acid 3594
                                            dihydroxy monocarboxylic acid 256
                                              hederagenin 5
                                                3-O-[2,3-di-O-acetyl-alpha-L-arabinopyranosyl]-hederagenin 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside 0
                                                3-O-[3,4-di-O-acetyl-alpha-L-arabinopyranosyl]hederagenin 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside 0
                                                cauloside D 0
                                                dipsacussaponin A 0
                                                hederagenin 28-O-beta-D-glucopyranoside 0
                                                hederagenin 3-O-arabinoside 0
                                                kalopanaxsaponin A 5
                                                kalopanaxsaponin B 0
                                                kalopanaxsaponin C 0
                                                salzmannianoside B 0
                                                sieboldianoside A 0
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