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CHEBI:188100 - 31-hydroxy-32,35-anhydrobacteriohopanetetrol

ChEBI IDCHEBI:188100
ChEBI Name31-hydroxy-32,35-anhydrobacteriohopanetetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H60O4
Net Charge0
Average Mass544.861
Monoisotopic Mass544.44916
SMILESCC(CC(O)C1OC[C@H](O)[C@@H]1O)C1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@]21C
InChIInChI=1S/C35H60O4/c1-21(19-24(36)30-29(38)25(37)20-39-30)22-11-16-32(4)23(22)12-17-34(6)27(32)9-10-28-33(5)15-8-14-31(2,3)26(33)13-18-35(28,34)7/h21-30,36-38H,8-20H2,1-7H3/t21?,22?,23?,24?,25-,26?,27?,28?,29-,30?,32-,33-,34+,35+/m0/s1
InChIKeyDLBNHZPSBNAXRQ-PFIQLKTGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
31-hydroxy-32,35-anhydrobacteriohopanetetrol (CHEBI:188100) is a hopanoid (CHEBI:51963)
IUPAC Name 
(3S,4S)-2-[3-[(5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-1-hydroxybutyl]oxolane-3,4-diol
Manual XrefsDatabases
24823192ChemSpider
LMPR04000027LIPID MAPS