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(2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM145987

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

formula

C₄₅H₆₈N₇O₁₇P₃S

charge

-4

mass

1103.36272

reference

chebi:76418

InChIKey

AVRCOFDAWHWKMB-MNTHWFIHSA-J

InChI

InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,24-25,32-34,38-40,44,55-56H,4-7,10,13,16,19-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b9-8-,12-11-,15-14-,18-17-,25-24+/t34-,38-,39-,40+,44-/m1/s1

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC/C=C/C(=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:76418 chebi:76418	(2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA (2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA(4-) (2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-coenzyme A(4-) 2trans,9cis,12cis,15cis,18cis-tetracosapentaenoyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E,9Z,12Z,15Z,18Z)-tetracosa-2,9,12,15,18-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
seed.compound:cpd31982 seedM:cpd31982	(2E,9Z,12Z,15Z,18Z)-tetracosa-2,9,12,15,18-pentaenoyl-CoA (2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA
SLM:000389615 slm:000389615	(2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA
metacyc.compound:CPD-18490 metacycM:CPD-18490	(2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA (2E,9Z,12Z,15Z,18Z)-tetracosa-2,9,12,15,18-pentaenoyl-CoA
CHEBI:76547 chebi:76547	(2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA (2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E,9Z,12Z,15Z,18Z)-tetracosa-2,9,12,15,18-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
seedM:M_cpd31982	secondary/obsolete/fantasy identifier