CHEBI:167943 - OHOOA-PS

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 OHOOA-PS
ChEBI ID CHEBI:167943
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H56NO12P
Net Charge 0
Average Mass 677.769
Monoisotopic Mass 677.35401
InChI InChI=1S/C32H56NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30(36)42-24-28(25-43-46(40,41)44-26-29(33)32(38)39)45-31(37)22-17-19-27(35)20-18-23-34/h9-10,18,20,23,27-29,35H,2-8,11-17,19,21-22,24-26,33H2,1H3,(H,38,39)(H,40,41)/b10-9-,20-18+/t27?,28-,29+/m1/s1
InChIKey AWBZXBXHEFMVDG-DIPKSNSMSA-N
SMILES P(OC[C@H](OC(=O)CCCC(O)/C=C/C=O)COC(=O)CCCCCCC/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 OHOOA-PS (CHEBI:167943) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[hydroxy-[(2R)-2-[(E)-5-hydroxy-8-oxooct-6-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Manual Xref Database
LMGP20040031 LIPID MAPS
View more database links