LIPID MAPS

Structure Database (LMSD)

Common Name

3-hydroxyisopentadecanoyl-CoA

Systematic Name

3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-13-methyltetradecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

Synonyms

3-hydroxy-13-methylmyristoyl-CoA
3-hydroxy-13-methylmyristoyl-coenzyme A
3-hydroxy-13-methyltetradecanoyl-CoA
3-hydroxy-13-methyltetradecanoyl-coenzyme A
3-hydroxyisopentadecanoyl-coenzyme A

LM ID

LMFA07050220

Status

Active

Exact Mass

Calculate m/z

1007.324149

Formula

C₃₆H₆₄N₇O₁₈P₃S

Abbrev

CoA 15:0;O

Show lipids differing only in stereochemistry/bond geometry

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MDLMOL SDF CSV TSV

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

Main

Classification

String Representations

InChiKey (Click to copy)

LWXQJJYOZWNPDR-ZJHONPRDSA-N

InChi (Click to copy)

InChI=1S/C36H64N7O18P3S/c1-23(2)12-10-8-6-5-7-9-11-13-24(44)18-27(46)65-17-16-38-26(45)14-15-39-34(49)31(48)36(3,4)20-58-64(55,56)61-63(53,54)57-19-25-30(60-62(50,51)52)29(47)35(59-25)43-22-42-28-32(37)40-21-41-33(28)43/h21-25,29-31,35,44,47-48H,5-20H2,1-4H3,(H,38,45)(H,39,49)(H,53,54)(H,55,56)(H2,37,40,41)(H2,50,51,52)/t24?,25-,29-,30-,31+,35-/m1/s1

SMILES (Click to copy)

[C@@H]1([C@H](O)[C@H](OP(=O)(O)O)[C@@H](COP(O)(=O)OP(O)(=O)OCC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(CC(O)CCCCCCCCCC(C)C)=O)C)O1)N1C=NC2C(N)=NC=NC1=2