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Salicyl-CoA

MNXM1629 is deprecated and here replaced by MNXM1106911
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1106911Image of MNXM1106911
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC29H42N7O17P3S
charge0
mass885.15707
referencechebi:165618
InChIKeyATOBVMVSPXOGBP-XJJJFWNASA-N
InChIInChI=1S/C29H42N7O17P3S/c1-16-6-4-5-7-17(16)28(41)57-11-10-31-19(37)8-9-32-26(40)23(39)29(2,3)13-50-56(47,48)53-55(45,46)49-12-18-22(52-54(42,43)44)21(38)27(51-18)36-15-35-20-24(30)33-14-34-25(20)36/h4-7,14-15,18,21-23,27,38-39H,8-13H2,1-3H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,21-,22-,23?,27-/m1/s1
SMILESCc1ccccc1C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:165618
chebi:165618
Salicyl-CoA
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-methylbenzenecarbothioate
hmdb:HMDB0011636 Salicyl CoA
(2-Hydroxybenzoyl)-CoA
(2-Hydroxybenzoyl)-coenzyme A
(O-Hydroxybenzoyl)-coenzyme A
S-(2-Hydroxybenzoate
S-(2-Hydroxybenzoate)CoA
S-(2-Hydroxybenzoate)coenzyme A
S-(2-Hydroxybenzoic acid
S-Salicylate (8ci)CoA
S-Salicylate (8ci)coenzyme A
Salicyl-CoA
Salicyl-coenzyme A
Salicyloyl-CoA
Salicyloyl-coenzyme A
Thio-salicylic acid S-ester with coenzyme A
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3-hydroxy-2,2-dimethyl-3-[(2-{[2-(2-methylbenzoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy)phosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(2-methylbenzoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
sabiork.compound:28192
sabiorkM:28192
Salicyl-CoA
hmdb:HMDB11636 secondary/obsolete/fantasy identifier