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CHEBI:186579 - Hydroxyphthioceranic acid (C43)

ChEBI IDCHEBI:186579
ChEBI NameHydroxyphthioceranic acid (C43)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H86O3
Net Charge0
Average Mass651.158
Monoisotopic Mass650.65770
SMILESCCCCCCCCCCCCCCCC(O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)O
InChIInChI=1S/C43H86O3/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-42(44)40(9)31-38(7)29-36(5)27-34(3)25-33(2)26-35(4)28-37(6)30-39(8)32-41(10)43(45)46/h33-42,44H,11-32H2,1-10H3,(H,45,46)/t33-,34+,35-,36+,37-,38+,39-,40+,41-,42?/m0/s1
InChIKeyNYMIFRPWENNRQJ-ZRSUEXAPSA-N
Species of MetaboliteComponentSourceComments
Nitrosopumilus maritimus str. SCM1 (ncbitaxon:436308) cell culture (BTO:0000214) MetaboLights (MTBLS3714)
ChEBI Ontology
Outgoing Relation(s)
Hydroxyphthioceranic acid (C43) (CHEBI:186579) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(2S,4S,6S,8S,10S,12R,14R,16R,18R)-19-hydroxy-2,4,6,8,10,12,14,16,18-nonamethyltetratriacontanoic acid
Manual XrefsDatabases
113369079ChemSpider
LMFA01020328LIPID MAPS