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3-hydroxy-6-carboxyhexanoyl-CoA

MNXM2188 is deprecated and here replaced by MNXM732602
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732602 Image of MNXM732602
referencechebi:57343
formulaC28H41N7O20P3S
global charge-5
mol weight920.654
InChIKeyVGEBXBQECGWCRH-JXUSAFQPSA-I
InChIInChI=1S/C28H46N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-16,21-23,27,36,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/p-5/t15?,16-,21-,22-,23+,27-/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)CC(O)CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C28H46N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-16,21-23,27,36,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/t15?,16-,21-,22-,23+,27-/m1/s1 Image of MNXM732602
SMILES (mnx)[CH3:1][C:28]([CH3:2])([CH2:12][O:52][P:58]([OH:49])(=[O:50])[O:55][P:57]([OH:47])(=[O:48])[O:51][CH2:11][C@@H:16]1[C@@H:22]([O:54][P:56]([OH:44])([OH:45])=[O:46])[C@@H:21]([OH:41])[C@H:27]([N:35]2[CH:14]=[N:34][C:20]3=[C:24]([NH2:29])[N:32]=[CH:13][N:33]=[C:25]32)[O:53]1)[C@H:23]([C:26](=[N:31][CH2:7][CH2:6][C:17](=[N:30][CH2:8][CH2:9][S:59][C:19]([CH2:10][CH:15]([CH2:4][CH2:3][CH2:5][C:18](=[O:38])[OH:39])[OH:36])=[O:40])[OH:37])[OH:43])[OH:42]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57343
chebi:57343
VGEBXBQECGWCRH-JXUSAFQPSA-I 		3-hydroxy-6-carboxyhexanoyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxylato-3-hydroxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
3-hydroxypimeloyl-CoA(5-)

kegg.compound:C06714
keggC:C06714
VGEBXBQECGWCRH-JXUSAFQPSA-N 		3-Hydroxypimeloyl-CoA
3-Hydroxypimelyl-CoA

vmhM:3hpmlcoa
vmhmetabolite:3hpmlcoa
VGEBXBQECGWCRH-JXUSAFQPSA-N 		3-Hydroxypimelyl-CoA

seed.compound:cpd04103
seedM:cpd04103
VGEBXBQECGWCRH-JXUSAFQPSA-I 		3-Hydroxypimelyl-CoA
3-HYDROXYPIMELOYL-COA
3-Hydroxypimeloyl-CoA
3-hydroxy-6-carboxyhexanoyl-CoA
3-hydroxypimeloyl-CoA
3-hydroxypimelyl-CoA
5-hydroxy-7-oxoheptanoyl-CoA

CHEBI:15485
chebi:15485
VGEBXBQECGWCRH-JXUSAFQPSA-N 		3-hydroxypimeloyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxy-3-hydroxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-Hydroxypimeloyl-CoA
3-Hydroxypimelyl-CoA
3-hydroxypimeloyl-coenzyme A
3-hydroxypimelyl-coenzyme A
S-(6-carboxy-3-hydroxyhexanoyl)-coenzyme A

lipidmaps:LMFA07050224
lipidmapsM:LMFA07050224
VGEBXBQECGWCRH-JXUSAFQPSA-N 		3-hydroxypimeloyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxy-3-hydroxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-hydroxypimeloyl-coenzyme A
3-hydroxypimelyl-coenzyme A
CoA 7:1
O3
S-(6-carboxy-3-hydroxyhexanoyl)-coenzyme A

metacyc.compound:3-HYDROXYPIMELYL-COA
metacycM:3-HYDROXYPIMELYL-COA
VGEBXBQECGWCRH-JXUSAFQPSA-I 		3-hydroxypimeloyl-CoA
3-hydroxy-6-carboxyhexanoyl-CoA
3-hydroxypimelyl-CoA
5-hydroxy-7-oxoheptanoyl-CoA

chebi:11834
chebi:1551
chebi:20077
keggC:M_C06714
seedM:M_cpd04103
vmhM:M_3hpmlcoa 		secondary/obsolete/fantasy identifier