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(17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM145948

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

formula

C₅₃H₈₄N₇O₁₇P₃S

charge

-4

mass

1215.48792

reference

chebi:74259

InChIKey

UOHRTBRFHCUNEG-VDFNWWPHSA-J

InChI

InChI=1S/C53H88N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-44(62)81-37-36-55-43(61)34-35-56-51(65)48(64)53(2,3)39-74-80(71,72)77-79(69,70)73-38-42-47(76-78(66,67)68)46(63)52(75-42)60-41-59-45-49(54)57-40-58-50(45)60/h5-6,8-9,11-12,14-15,17-18,40-42,46-48,52,63-64H,4,7,10,13,16,19-39H2,1-3H3,(H,55,61)(H,56,65)(H,69,70)(H,71,72)(H2,54,57,58)(H2,66,67,68)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-/t42-,46-,47-,48+,52-/m1/s1

SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:74259 chebi:74259	(17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA (17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA(4-) (17Z,20Z,23Z,26Z,29Z)-dotriacontapentanoyl-coenzyme A(4-) 17cis,20cis,23cis,26cis,29cis-dotriacontapentanoyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(17Z,20Z,23Z,26Z,29Z)-dotriaconta-17,20,23,26,29-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} C32:5(omega-3)-CoA(4-)
SLM:000000745 slm:000000745	(17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA
CHEBI:74409 chebi:74409	(17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA (17Z,20Z,23Z,26Z,29Z)-dotriacontapentanoyl-coenzyme A 17cis,20cis,23cis,26cis,29cis-dotriacontapentanoyl-CoA 17cis,20cis,23cis,26cis,29cis-dotriacontapentanoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(17Z,20Z,23Z,26Z,29Z)-dotriaconta-17,20,23,26,29-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} C32:5(omega-3)-CoA