CHEBI:188274 - PS(12:0/13:0)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PS(12:0/13:0)
ChEBI ID CHEBI:188274
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H60NO10P
Net Charge 0
Average Mass 637.792
Monoisotopic Mass 637.39548
InChI InChI=1S/C31H60NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-30(34)42-27(25-40-43(37,38)41-26-28(32)31(35)36)24-39-29(33)22-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26,32H2,1-2H3,(H,35,36)(H,37,38)/t27-,28+/m1/s1
InChIKey QOJBRSNGFBBNKT-IZLXSDGUSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via phosphatidyl-L-serine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PS(12:0/13:0) (CHEBI:188274) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[[(2R)-3-dodecanoyloxy-2-tridecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xrefs Databases
2497493 ChemSpider
LMGP03010001 LIPID MAPS
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