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heptanoyl-CoA

MNXM56148 is deprecated and here replaced by MNXM1104615
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104615

	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	12

formula

C₂₈H₄₄N₇O₁₇P₃S

charge

-4

mass

875.17492

reference

chebi:78811

InChIKey

CHVYGJMBUXUTSX-SVHODSNWSA-J

InChI

InChI=1S/C28H48N7O17P3S/c1-4-5-6-7-8-19(37)56-12-11-30-18(36)9-10-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-13-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/p-4/t17-,21-,22-,23+,27-/m1/s1

SMILES

CCCCCCC(=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:78811 chebi:78811	heptanoyl-CoA enanthyl-CoA(4-) heptanoyl-CoA(4-) heptanoyl-coenzyme A(4-)
lipidmaps:LMFA07050326 lipidmapsM:LMFA07050326	Enanthyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(heptanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) C7:0-CoA CoA 7:0 Heptanoyl-CoA enanthyl-CoA enanthyl-coenzyme A heptanoyl-CoA
bigg.metabolite:M02107 biggM:M02107 bigg.metabolite:hepcoa biggM:hepcoa	Heptanoyl Coenzyme A
sabiork.compound:23183 sabiorkM:23183	Heptanoyl-CoA
metacyc.compound:CPD-14432 metacycM:CPD-14432 seed.compound:cpd35246 seedM:cpd35246	heptanoyl-CoA
CHEBI:37283 chebi:37283	heptanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(heptanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) C7:0-CoA enanthyl-CoA enanthyl-coenzyme A
biggM:M_M02107 biggM:M_hepcoa seedM:M_cpd35246	secondary/obsolete/fantasy identifier