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Isocaprenoyl-CoA

MNXM146509 is deprecated and here replaced by MNXM728842
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM728842

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

formula

C₂₇H₄₄N₇O₁₇P₃S

charge

mass

863.17272

reference

keggC:C21090

InChIKey

GJLUGLKKLPHWPU-SYLRIUJSSA-N

InChI

InChI=1S/C27H44N7O17P3S/c1-15(2)5-6-18(36)55-10-9-29-17(35)7-8-30-25(39)22(38)27(3,4)12-48-54(45,46)51-53(43,44)47-11-16-21(50-52(40,41)42)20(37)26(49-16)34-14-33-19-23(28)31-13-32-24(19)34/h5-6,13-16,20-22,26,37-38H,7-12H2,1-4H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b6-5+/t16-,20-,21-,22+,26-/m1/s1

SMILES

CC(C)/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
kegg.compound:C21090 keggC:C21090	Isocaprenoyl-CoA (E)-2-Isocaprenoyl-CoA 4-Methylpent-2-enoyl-CoA
sabiork.compound:31697 sabiorkM:31697	2-Isocaprenoyl-CoA (E)-2-Isocaprenoyl-CoA 4-Methylpent-2-enoyl-CoA
CHEBI:87436 chebi:87436	4-methylpent-2-enoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-pent-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} 4-methylpent-2-enoyl-coenzyme A
CHEBI:87120 chebi:87120	4-methylpent-2-enoyl-CoA 4-methylpent-2-enoyl-CoA(4-)
metacyc.compound:CPD-18023 metacycM:CPD-18023 seed.compound:cpd32069 seedM:cpd32069	4-methylpent-2-enoyl-CoA isocaprenoyl-CoA
keggC:M_C21090 seedM:M_cpd32069	secondary/obsolete/fantasy identifier