Feedback

timnodonyl CoA

Properties
MNX_IDMNXM2869
formulaC41H64N7O17P3S
charge0
mass1051.971123
referencechebi:140756
Image of MNXM2869
InChIKeyJWZLRYCDDXHXDL-BCYDWBPESA-N
InChIInChI=1S/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4,7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-,15-14-,18-17-/t30-,34?,35+,36+,40-/m1/s1
SMILESCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12

Occurences in reactions

#reac
Distinct reactions in my sandbox 0
Distinct generic reactions in MNXref53
Distinct compatimentalized reactions in models27

Similar chemical compounds in external resources
IdentifierDescription
biggM:tmndnccoa Timnodonyl coenzyme A
chebi:140756 timnodonyl CoA
hmdb:HMDB0006514 Timnodonyl CoA
Timnodonyl coenzyme A
[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3R)-3-hydroxy-3-{[2-({2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxyphosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid
cis-Icosa-5,8,11,14,17-pentaenoyl CoA
cis-Icosa-5,8,11,14,17-pentaenoyl coenzyme A
{[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-{[2-({2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
biggM:M_tmndnccoa
hmdb:HMDB06514
secondary/obsolete/fantasy identifier
chebi:140757 timnodonyl CoA (4-)
MNXM499646is deprecated and replaced by this entry
MNXM87249is deprecated and replaced by MNXM499646