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CHEBI:186573 - Hydroxyphthioceranic acid (C42)

ChEBI IDCHEBI:186573
ChEBI NameHydroxyphthioceranic acid (C42)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H84O3
Net Charge0
Average Mass637.131
Monoisotopic Mass636.64205
SMILESCCCCCCCCCCCCCCCCCC(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(=O)O
InChIInChI=1S/C42H84O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-41(43)39(8)31-37(6)29-35(4)27-33(2)26-34(3)28-36(5)30-38(7)32-40(9)42(44)45/h33-41,43H,10-32H2,1-9H3,(H,44,45)/t33-,34+,35-,36+,37-,38+,39-,40+,41?/m1/s1
InChIKeyGWVUUZNLKZUAHT-FRUGHQICSA-N
Species of MetaboliteComponentSourceComments
Nitrosopumilus maritimus str. SCM1 (ncbitaxon:436308) cell culture (BTO:0000214) MetaboLights (MTBLS3714)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Hydroxyphthioceranic acid (C42) (CHEBI:186573) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
(2S,4S,6S,8S,10R,12R,14R,16R)-17-hydroxy-2,4,6,8,10,12,14,16-octamethyltetratriacontanoic acid
Manual XrefsDatabases
113369078ChemSpider
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