LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

PC(10:0/20:4(5Z,8Z,10E,14Z)(12OH[S]))

Systematic Name

1-decanoyl-2-(12S-HETE)-sn-glycero-3-phosphocholine

LM ID

LMGP20019AA2

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

713.463172

Formula

C₃₈H₆₈NO₉P

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MDLMOL SDF CSV TSV PNG

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)

NJULGFZEFSTOTH-YUAFQMQRSA-N

InChi (Click to copy)

InChI=1S/C38H68NO9P/c1-6-8-10-12-16-21-25-29-37(41)45-33-36(34-47-49(43,44)46-32-31-39(3,4)5)48-38(42)30-26-22-18-15-14-17-20-24-28-35(40)27-23-19-13-11-9-7-2/h15,17-20,23-24,28,35-36,40H,6-14,16,21-22,25-27,29-34H2,1-5H3/b18-15-,20-17-,23-19-,28-24+/t35-,36+/m0/s1

SMILES (Click to copy)

[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CCCCC)=O)COC(CCCCCCCCC)=O