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2-oxoglutaryl-CoA(5-)

MNXM97386 is deprecated and here replaced by MNXM1370828
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370828 Image of MNXM1370828
referencechebi:71349
formulaC26H35N7O20P3S
global charge-5
mol weight890.584
InChIKeyQYHKIXYHXCJHTR-XBTRWLRFSA-I
InChIInChI=1S/C26H40N7O20P3S/c1-26(2,20(39)23(40)29-6-5-15(35)28-7-8-57-25(41)13(34)3-4-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-19(52-54(42,43)44)18(38)24(51-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-12,14,18-20,24,38-39H,3-10H2,1-2H3,(H,28,35)(H,29,40)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/p-5/t14-,18-,19-,20?,24-/m1/s1
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)NCCSC(=O)C(=O)CCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C26H40N7O20P3S/c1-26(2,20(39)23(40)29-6-5-15(35)28-7-8-57-25(41)13(34)3-4-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-19(52-54(42,43)44)18(38)24(51-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-12,14,18-20,24,38-39H,3-10H2,1-2H3,(H,28,35)(H,29,40)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t14-,18-,19-,20?,24-/m1/s1 Image of MNXM1370828
SMILES (mnx)[CH3:1][C:26]([CH3:2])([CH2:10][O:50][P:56]([OH:47])(=[O:48])[O:53][P:55]([OH:45])(=[O:46])[O:49][CH2:9][C@@H:14]1[C@@H:19]([O:52][P:54]([OH:42])([OH:43])=[O:44])[C@@H:18]([OH:38])[C@H:24]([N:33]2[CH:12]=[N:32][C:17]3=[C:21]([NH2:27])[N:30]=[CH:11][N:31]=[C:22]32)[O:51]1)[CH:20]([C:23](=[N:29][CH2:6][CH2:5][C:15](=[N:28][CH2:7][CH2:8][S:57][C:25]([C:13]([CH2:3][CH2:4][C:16](=[O:36])[OH:37])=[O:34])=[O:41])[OH:35])[OH:40])[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71349
chebi:71349
QYHKIXYHXCJHTR-XBTRWLRFSA-I 		2-oxoglutaryl-CoA(5-)
2-oxoglutaryl-coenzyme A(5-)
4-carboxylato-2-oxobutanoyl-CoA(5-)
4-carboxylato-2-oxobutanoyl-coenzyme A(5-)
5'-O-({[(4-{[3-({2-[(4-carboxylato-2-oxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy)phosphinato]oxy}phosphinato)-3'-O-phosphonatoadenosine

seed.compound:cpd24184
seedM:cpd24184
QYHKIXYHXCJHTR-XBTRWLRFSA-I 		2-oxoglutaryl-CoA
2-Oxoglutaroyl-CoA
2-Oxoglutaryl-CoA
alpha-ketoglutaryl-CoA

CHEBI:71364
chebi:71364
QYHKIXYHXCJHTR-XBTRWLRFSA-N 		2-oxoglutaryl-CoA
4-carboxy-2-oxobutanoyl-CoA
5'-O-[{[(4-{[3-({2-[(4-carboxy-2-oxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)

lipidmaps:LMFA07050194
lipidmapsM:LMFA07050194
QYHKIXYHXCJHTR-XBTRWLRFSA-N 		2-oxoglutaryl-CoA
4-carboxy-2-oxobutanoyl-CoA
5'-O-[{[(4-{[3-({2-[(4-carboxy-2-oxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
CoA 5:2
O3

seedM:M_cpd24184 		secondary/obsolete/fantasy identifier