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(R)-2-hydroxyglutaryl-CoA

PropertiesImage
MNX_IDMNXM3159 Image of MNXM3159
referencechebi:132946
formulaC26H37N7O20P3S
global charge-5
mol weight892.6
InChIKeyITRSBJZNLOYNNR-WZZMXTMRSA-I
InChIInChI=1S/C26H42N7O20P3S/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/h11-14,18-20,24,34,38-39H,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/t13-,14-,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@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@H](O)CCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C26H42N7O20P3S/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/h11-14,18-20,24,34,38-39H,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)/t13-,14-,18-,19-,20+,24-/m1/s1 Image of MNXM3159
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)[C@H:20]([C:23](=[N:29][CH2:6][CH2:5][C:15](=[N:28][CH2:7][CH2:8][S:57][C:25]([C@@H:13]([CH2:3][CH2:4][C:16](=[O:36])[OH:37])[OH:34])=[O:41])[OH:35])[OH:40])[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:132946
chebi:132946
ITRSBJZNLOYNNR-WZZMXTMRSA-I 		(R)-2-hydroxyglutaryl-CoA
(R)-2-hydroxyglutaryl-CoA(5-)

sabiork.compound:28277
sabiorkM:28277
ITRSBJZNLOYNNR-WZZMXTMRSA-N 		(R)-2-Hydroxyglutaryl-CoA

CHEBI:134246
chebi:134246
ITRSBJZNLOYNNR-WZZMXTMRSA-N 		(R)-2-hydroxyglutaryl-CoA
(R)-2-hydroxyglutaryl-coenzyme A
2-Hydroxyglutaryl-1-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-{[(2R)-4-carboxy-2-hydroxybutanoyl]sulfanyl}ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

metacyc.compound:2-HYDROXYGLUTARYL-COA
metacycM:2-HYDROXYGLUTARYL-COA
ITRSBJZNLOYNNR-WZZMXTMRSA-I 		(R)-2-hydroxyglutaryl-CoA
2-hydroxyglutaroyl-CoA
2-hydroxyglutaryl-CoA

kegg.compound:C03058
keggC:C03058
ITRSBJZNLOYNNR-RMNRSTNRSA-N 		2-Hydroxyglutaryl-CoA

seed.compound:cpd01957
seedM:cpd01957
ITRSBJZNLOYNNR-RMNRSTNRSA-I 		2-Hydroxyglutaryl-CoA
(R)-2-hydroxyglutaryl-CoA
2-hydroxyglutaroyl-CoA
2-hydroxyglutaryl-CoA

vmhM:2hydogcoa
vmhmetabolite:2hydogcoa
ITRSBJZNLOYNNR-RMNRSTNRSA-N 		2-hydroxyglutaryl-CoA

CHEBI:28578
chebi:28578
ITRSBJZNLOYNNR-RMNRSTNRSA-N 		2-hydroxyglutaryl-CoA
2-Hydroxyglutaryl-CoA
2-hydroxyglutaryl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxy-2-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

CHEBI:78628
chebi:78628
ITRSBJZNLOYNNR-RMNRSTNRSA-I 		2-hydroxyglutaryl-CoA
2-hydroxyglutaryl-CoA(5-)

lipidmaps:LMFA07050183
lipidmapsM:LMFA07050183
ITRSBJZNLOYNNR-RMNRSTNRSA-N 		2-hydroxyglutaryl-CoA
2-hydroxyglutaryl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxy-2-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
CoA 5:1
O3

chebi:1161
chebi:19639
keggC:M_C03058
seedM:M_cpd01957
vmhM:M_2hydogcoa 		secondary/obsolete/fantasy identifier