Terminology Service for NFDI4Health
JSON

1-oleoyl-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)

Go to external page http://purl.obolibrary.org/obo/CHEBI_136816

A 3-(3-sn-phosphatidyl)-sn-glycerol 1-phosphate in which the phosphatidyl acyl groups at positions 1 and 2 are specified as oleoyl and hexadecanoyl respectively.

Term info

Label

1-oleoyl-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)

Synonyms
  • (2R,8S)-2-(hexadecanoyloxy)-5,8,11,11-tetrahydroxy-5,11-dioxo-4,6,10-trioxa-5lambda(5),11lambda(5)-diphosphaundecan-1-yl (9Z)-octadec-9-enoate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R,8S)-2-(hexadecanoyloxy)-5,8,11,11-tetrahydroxy-5,11-dioxo-4,6,10-trioxa-5lambda(5),11lambda(5)-diphosphaundecan-1-yl (9Z)-octadec-9-enoate [ IUPAC ]

charge

0

formula

C40H78O13P2

has obo namespace

chebi_ontology

has related synonym

Phosphatidylglycerophosphate (1-octadecenoyl(9Z),2-palmitoyl), 1-[(9Z)-octadecenoyl]-2-hexadcanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate), PGP(18:1n9/16:0), 1-oleoyl-2-palmitoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate), phosphatidylglycerophosphate 18:1(9Z)/16:0, 1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate), PGP(18:1(9Z)/16:0)

id

CHEBI:136816

inchi

InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-/t37-,38+/m0/s1

inchikey

WQMDYQSTTXRXLQ-HGWHEPCSSA-N

mass

828.989

monoisotopicmass

828.49177

smiles

O([C@@H](COP(=O)(OC[C@H](COP(=O)(O)O)O)O)COC(CCCCCCC/C=C\CCCCCCCC)=O)C(CCCCCCCCCCCCCCC)=O