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CHEBI:230592 - verazine

Default Structure
ChEBI IDCHEBI:230592
ChEBI Nameverazine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H43NO
Net Charge0
Average Mass397.647
Monoisotopic Mass397.33446
SMILESC[C@H]1CCC([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1
InChIInChI=1S/C27H43NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,29H,5,7-16H2,1-4H3/t17-,18-,20-,21-,22+,23-,24-,26-,27+/m0/s1
InChIKeyVRBNGKPRTHBEIQ-LURFOZDGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
verazine (CHEBI:230592) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
141486ChemSpider
LMST01150006LIPID MAPS