CHEBI:185357 - (2-Aminoethoxy)[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propoxy]phosphinic acid

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ChEBI Name (2-Aminoethoxy)[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propoxy]phosphinic acid
ChEBI ID CHEBI:185357
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C39H74NO7P
Net Charge 0
Average Mass 699.995
Monoisotopic Mass 699.52029
InChI InChI=1S/C39H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h14,16-18,31,34,38H,3-13,15,19-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b16-14-,18-17-,34-31-/t38-/m1/s1
InChIKey LALFTIIBOJSVNP-OBEJFMRTSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)CO/C=C\CCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
ChEBI Ontology
Outgoing (2-Aminoethoxy)[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propoxy]phosphinic acid (CHEBI:185357) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1Z,9Z)-octadeca-1,9-dienoxy]propan-2-yl] (Z)-hexadec-9-enoate
Manual Xrefs Databases
24769322 ChemSpider
HMDB0011438 HMDB
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