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 ChemicalBook:CB3238150, eMolecules:524834, ZINC000003777423
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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-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
Citations Types Sources
12529541 PubMed citation Europe PMC
16665322 PubMed citation Europe PMC
Last Modified
09 December 2024