CHEBI:5633 - Hecogenin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Hecogenin
ChEBI ID CHEBI:5633
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H42O4
Net Charge 0
Average Mass 430.621
Monoisotopic Mass 430.308
InChI InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1
InChIKey QOLRLLFJMZLYQJ-LOBDNJQFSA-N
SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@]11CC[C@@H](C)CO1
ChEBI Ontology
Outgoing Hecogenin (CHEBI:5633) is a triterpenoid (CHEBI:36615)
Synonym Source
Hecogenin KEGG COMPOUND
Manual Xrefs Databases
C00003580 KNApSAcK
C08902 KEGG COMPOUND
View more database links
Registry Number Type Source
467-55-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014