LIPID MAPS

Structure Database (LMSD)

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Common Name

(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA

Systematic Name

4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl-CoA

Synonyms

(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-CoA
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-coenzyme A
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-coenzyme A
4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl-CoA
4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl-coenzyme A
CoA(22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DHA-CoA

LM ID

LMFA07050121

Formula

C₄₃H₆₆N₇O₁₇P₃S

Exact Mass

Calculate m/z

1077.344884

Sum Composition

CoA 22:6

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

MENFZXMQSYYVRK-CRCGJGBYSA-N

InChi (Click to copy)

InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4,7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36-,37-,38+,42-/m1/s1

SMILES (Click to copy)

C(C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)SCCNC(=O)CCNC([C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O1)N1C=NC2C(N)=NC=NC1=2)=O