CHEBI:169191 - PS(24:1(15Z)/24:1(15Z))

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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(24:1(15Z)/24:1(15Z))
ChEBI ID CHEBI:169191
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C54H102NO10P
Net Charge 0
Average Mass 956.381
Monoisotopic Mass 955.72414
InChI InChI=1S/C54H102NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-52(56)62-47-50(48-63-66(60,61)64-49-51(55)54(58)59)65-53(57)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,50-51H,3-16,21-49,55H2,1-2H3,(H,58,59)(H,60,61)/b19-17-,20-18-/t50-,51+/m1/s1
InChIKey PHOVBVVOVGLWCT-YCHNHLRVSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue 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(24:1(15Z)/24:1(15Z)) (CHEBI:169191) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[[(2R)-2,3-bis[[(Z)-tetracos-15-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xrefs Databases
74876377 ChemSpider
HMDB0112934 HMDB
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