Search MNXref
**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**
 Feedback

2'-(5''-triphospho-alpha-D-ribosyl)-3'-dephospho-CoA

PropertiesImage
MNX_IDMNXM733374 Image of MNXM733374
referencechebi:61378
formulaC26H40N7O26P5S
global charge-6
mol weight1053.566
InChIKeyNFWZJXFBUKDGOX-HWCXJHOSSA-H
InChIInChI=1S/C26H46N7O26P5S/c1-26(2,20(38)23(39)29-4-3-14(34)28-5-6-65)9-53-63(47,48)58-61(43,44)52-8-13-17(36)19(24(54-13)33-11-32-15-21(27)30-10-31-22(15)33)56-25-18(37)16(35)12(55-25)7-51-62(45,46)59-64(49,50)57-60(40,41)42/h10-13,16-20,24-25,35-38,65H,3-9H2,1-2H3,(H,28,34)(H,29,39)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,27,30,31)(H2,40,41,42)/p-6/t12-,13-,16-,17-,18-,19-,20+,24-,25-/m1/s1
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O[C@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)[C@@H]1O)[C@@H](O)C(=O)NCCC(=O)NCCS
MNX internals
InChI (mnx)InChI=1/C26H46N7O26P5S/c1-26(2,20(38)23(39)29-4-3-14(34)28-5-6-65)9-53-63(47,48)58-61(43,44)52-8-13-17(36)19(24(54-13)33-11-32-15-21(27)30-10-31-22(15)33)56-25-18(37)16(35)12(55-25)7-51-62(45,46)59-64(49,50)57-60(40,41)42/h10-13,16-20,24-25,35-38,65H,3-9H2,1-2H3,(H,28,34)(H,29,39)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,27,30,31)(H2,40,41,42)/t12-,13-,16-,17-,18-,19-,20+,24-,25-/m1/s1 Image of MNXM733374
SMILES (mnx)[CH2:1]1[C@@H:2]([CH2:11][C@@H:8]2[C@H:6]([O:39]3[O:40]4=[O:42]([O:44]=[O:41]3)[O:45]([OH:48])=[O:47][O:46]=[O:43]4)[CH2:7][C@@H:9]([O:37][NH:30][O:36]([NH:29][O:35]([NH:28][CH2:22][C:24]([CH3:23])([CH3:25])[C@@H:26]([C:21]([CH2:19][CH2:17][CH2:18][C:15]([CH2:14][CH2:12][CH2:13][OH:49])=[CH2:16])=[CH2:20])[NH2:27])(=[NH:31])[NH2:32])(=[NH:33])[OH:34])[C@@H:10]2[OH:38])[C@H:4]([PH2:64])[C@H:5]([SH:65])[C@H:3]1[O:50][O:51][O:52]([O:53][O:54]([O:55][O:56]([OH:59])([PH2:60])=[PH:61])([OH:58])=[PH:62])([OH:57])=[PH:63]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:61378
chebi:61378
NFWZJXFBUKDGOX-HWCXJHOSSA-H 		2'-(5''-triphospho-alpha-D-ribosyl)-3'-dephospho-CoA
2'-(5''-triphosphoribosyl)-3'-dephospho-CoA hexaanion
2'-(5-triphosphonato-alpha-D-ribofuranosyl)adenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] diphosphate}
2'-(5-triphosphoribosyl)-3'-dephospho-CoA(6-)
2-5-triphosphoribosyl-3-dephospho-CoA(6-)

metacyc.compound:2-5-TRIPHOSPHORIBOSYL-3-DEPHOSPHO-
metacycM:2-5-TRIPHOSPHORIBOSYL-3-DEPHOSPHO-
NFWZJXFBUKDGOX-HWCXJHOSSA-H 		2'-(5''-triphospho-alpha-D-ribosyl)-3'-dephospho-CoA
2'-(5-triphosphoribosyl)-3'-dephospho-CoA
2-5-triphosphoribosyl-3-dephospho-CoA

bigg.metabolite:2tpr3dpcoa
biggM:2tpr3dpcoa
NFWZJXFBUKDGOX-HWCXJHOSSA-H 		2'-(5''-triphosphoribosyl)-3'-dephospho-CoA

seed.compound:cpd15364
seedM:cpd15364
NFWZJXFBUKDGOX-HWCXJHOSSA-H 		2'-(5''-triphosphoribosyl)-3'-dephospho-CoA
2'-(5''-triphospho-alpha-D-ribosyl)-3'-dephospho-CoA
2'-(5-Triphospho-alpha-D-ribosyl)-3'-dephospho-CoA
2'-(5-Triphosphoribosyl)-3'-dephospho-CoA
2'-(5-triphosphoribosyl)-3'-dephospho-CoA
2-5-triphosphoribosyl-3-dephospho-CoA
2tpr3dpcoa

kegg.compound:C19771
keggC:C19771
NFWZJXFBUKDGOX-CAXDFTLSSA-N 		2'-(5-Triphosphoribosyl)-3'-dephospho-CoA
2'-(5-Triphospho-alpha-D-ribosyl)-3'-dephospho-CoA

lipidmaps:LMFA07050169
lipidmapsM:LMFA07050169
NFWZJXFBUKDGOX-HWCXJHOSSA-N 		2'-(5-triphosphoribosyl)-3'-dephospho-CoA
2'-(5''-triphosphoribosyl)-3'-dephospho-CoA
2'-(5-triphospho-alpha-D-ribofuranosyl)adenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}

CHEBI:11392
chebi:11392
NFWZJXFBUKDGOX-HWCXJHOSSA-N 		2'-(5-triphosphoribosyl)-3'-dephospho-CoA
2'-(5-triphospho-alpha-D-ribofuranosyl)adenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}

biggM:M_2tpr3dpcoa
keggC:M_C19771
seedM:M_cpd15364 		secondary/obsolete/fantasy identifier