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[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM731573

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

formula

C₃₁H₄₄N₇O₁₈P₃S

charge

-4

mass

927.16983

reference

chebi:64784

InChIKey

QRPFCCJPSQOMPY-WNZSEHGDSA-J

InChI

InChI=1S/C31H48N7O18P3S/c1-16-10-18(39)17(31(16,4)5)11-21(41)60-9-8-33-20(40)6-7-34-28(44)25(43)30(2,3)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)38-15-37-22-26(32)35-14-36-27(22)38/h10,14-15,17,19,23-25,29,42-43H,6-9,11-13H2,1-5H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t17-,19+,23+,24+,25-,29+/m0/s1

SMILES

CC1=CC(=O)[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)([O-])[O-])C1(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:64784 chebi:64784	[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA(4-) [(R)-2,2,3-trimethyl-2-oxocyclopent-3-en-1-yl]acetyl-coenzyme A(4-)
seed.compound:cpd04416 seedM:cpd04416	2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetyl-CoA 2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetyl coenzyme A 2-oxo-delta3-4,5,5-trimethylcyclopentenylacetyl-CoA [(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA [(1R)-4,5,5-trimethyl-2-oxocyclopent-3-enyl]acetyl-CoA
kegg.compound:C07160 keggC:C07160	[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA 2-Oxo-Delta3-4,5,5-trimethylcyclopentenylacetyl coenzyme A 2-Oxo-Delta3-4,5,5-trimethylcyclopentenylacetyl-CoA
lipidmaps:LMFA07050166 lipidmapsM:LMFA07050166	[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A CoA 10:3 O [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA
CHEBI:64900 chebi:64900	[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A [(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetyl-coenzyme A
metacyc.compound:CPD-867 metacycM:CPD-867	[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA 2-oxo-Delta3-4,5,5-trimethylcyclopentenylacetyl-CoA [(1R)-4,5,5-trimethyl-2-oxocyclopent-3-enyl]acetyl-CoA
chebi:64895 chebi:64903 keggC:M_C07160 seedM:M_cpd04416	secondary/obsolete/fantasy identifier