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biotinyl-CoA

MNXM3551 is deprecated and here replaced by MNXM734727
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM734727 Image of MNXM734727
referencechebi:57370
formulaC31H46N9O18P3S2
global charge-4
mol weight989.81
InChIKeyWNMONPKUDXWVKE-AJQVAGRLSA-J
InChIInChI=1S/C31H50N9O18P3S2/c1-31(2,25(44)28(45)34-8-7-19(41)33-9-10-62-20(42)6-4-3-5-18-21-16(12-63-18)38-30(46)39-21)13-55-61(52,53)58-60(50,51)54-11-17-24(57-59(47,48)49)23(43)29(56-17)40-15-37-22-26(32)35-14-36-27(22)40/h14-18,21,23-25,29,43-44H,3-13H2,1-2H3,(H,33,41)(H,34,45)(H,50,51)(H,52,53)(H2,32,35,36)(H2,38,39,46)(H2,47,48,49)/p-4/t16-,17+,18-,21-,23+,24+,25-,29+/m0/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)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
MNX internals
InChI (mnx)InChI=1/C31H50N9O18P3S2/c1-31(2,25(44)28(45)34-8-7-19(41)33-9-10-62-20(42)6-4-3-5-18-21-16(12-63-18)38-30(46)39-21)13-55-61(52,53)58-60(50,51)54-11-17-24(57-59(47,48)49)23(43)29(56-17)40-15-37-22-26(32)35-14-36-27(22)40/h14-18,21,23-25,29,43-44H,3-13H2,1-2H3,(H,33,41)(H,34,45)(H,50,51)(H,52,53)(H2,32,35,36)(H2,38,39,46)(H2,47,48,49)/t16-,17+,18-,21-,23+,24+,25-,29+/m0/s1 Image of MNXM734727
SMILES (mnx)[CH3:1][C:31]([CH3:2])([CH2:13][O:55][P:61]([OH:52])(=[O:53])[O:58][P:60]([OH:50])(=[O:51])[O:54][CH2:11][C@@H:17]1[C@@H:24]([O:57][P:59]([OH:47])([OH:48])=[O:49])[C@@H:23]([OH:43])[C@H:29]([N:40]2[CH:15]=[N:37][C:22]3=[C:26]([NH2:32])[N:35]=[CH:14][N:36]=[C:27]32)[O:56]1)[C@H:25]([C:28](=[N:34][CH2:8][CH2:7][C:19](=[N:33][CH2:9][CH2:10][S:62][C:20]([CH2:6][CH2:4][CH2:3][CH2:5][C@H:18]1[C@@H:21]2[C@H:16]([CH2:12][S:63]1)[N:38]=[C:30]([OH:46])[NH:39]2)=[O:42])[OH:41])[OH:45])[OH:44]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57370
chebi:57370
WNMONPKUDXWVKE-AJQVAGRLSA-J 		biotinyl-CoA
biotinyl-CoA(4-)
biotinyl-coenzyme A(4-)

kegg.compound:C01894
keggC:C01894
WNMONPKUDXWVKE-AJQVAGRLSA-N 		Biotinyl-CoA

seed.compound:cpd01302
seedM:cpd01302
WNMONPKUDXWVKE-AJQVAGRLSA-J 		Biotinyl-CoA
biotinyl-CoA

metacyc.compound:CPD-203
metacycM:CPD-203
WNMONPKUDXWVKE-AJQVAGRLSA-N 		biotinyl-CoA

CHEBI:15516
chebi:15516
WNMONPKUDXWVKE-AJQVAGRLSA-N 		biotinyl-CoA
Biotinyl-CoA
S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda(5),5lambda(5)-diphosphaheptadecan-17-yl} 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanethioate
biotinyl-coenzyme A

lipidmaps:LMFA07050291
lipidmapsM:LMFA07050291
WNMONPKUDXWVKE-AJQVAGRLSA-N 		biotinyl-CoA
Biotinyl-CoA
biotinyl-coenzyme A

chebi:13908
chebi:22886
chebi:3111
keggC:M_C01894
seedM:M_cpd01302 		secondary/obsolete/fantasy identifier