CHEBI:15419 - ent-7α-hydroxykaur-16-en-19-oic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ent-7α-hydroxykaur-16-en-19-oic acid
ChEBI ID CHEBI:15419
ChEBI ASCII Name ent-7alpha-hydroxykaur-16-en-19-oic acid
Definition An ent-kaurane diterpenoid that is ent-kaur-16-en-19-oic acid carrying an additional 7α-hydroxy substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:29734, CHEBI:10838, CHEBI:12812, CHEBI:23918
Supplier Information
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Formula C20H30O3
Net Charge 0
Average Mass 318.45040
Monoisotopic Mass 318.21949
InChI InChI=1S/C20H30O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19-,20+/m1/s1
InChIKey KMLXVEXJZSTMBV-YDIYEOSVSA-N
SMILES [H][C@]12C[C@H](O)[C@@]34C[C@@H](CC[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(O)=O)C(=C)C4
ChEBI Ontology
Outgoing ent-7α-hydroxykaur-16-en-19-oic acid (CHEBI:15419) is a ent-kaurane diterpenoid (CHEBI:36760)
ent-7α-hydroxykaur-16-en-19-oic acid (CHEBI:15419) is conjugate acid of ent-7α-hydroxykaur-16-en-19-oate (CHEBI:57298)
Incoming ent-7α-hydroxykaur-16-en-19-oate (CHEBI:57298) is conjugate base of ent-7α-hydroxykaur-16-en-19-oic acid (CHEBI:15419)
IUPAC Name
ent-7α-hydroxykaur-16-en-19-oic acid
Synonyms Sources
(-)-Kaur-16-en-7beta-ol-19-oic acid KEGG COMPOUND
(5β,7β,8α,9β,10α,13α)-7-hydroxykaur-16-en-18-oic acid IUPAC
ent-7α-hydroxykaur-16-en-19-oic acid UniProt
ent-7alpha-Hydroxykaur-16-en-19-oic acid KEGG COMPOUND
ent-7α-hydroxykaurenoic acid LIPID MAPS
Manual Xrefs Databases
C00000877 KNApSAcK
C11875 KEGG COMPOUND
CPD1F-136 MetaCyc
LMPR0104540005 LIPID MAPS
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Registry Numbers Types Sources
21435-01-8 CAS Registry Number KEGG COMPOUND
2158759 Reaxys Registry Number Reaxys
2158759 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
12529541 PubMed citation Europe PMC
16665322 PubMed citation Europe PMC
Last Modified
28 July 2014