Spectrum MoNA020768 for Tetradecyl-oxirane-2-carboxylic acid-Coenzyme A; (Acyl-CoA); [M+H]+;

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C38H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-38(23-58-38)36(50)67-20-19-40-27(46)16-18-41-34(49)31(48)37(2,3)22-60-66(56,57)63-65(54,55)59-21-26-30(62-64(51,52)53)29(47)35(61-26)45-25-44-28-32(39)42-24-43-33(28)45/h24-26,29-31,35,47-48H,4-23H2,1-3H3,(H,40,46)(H,41,49)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t26-,29-,30-,31?,35-,38?/m1/s1
FMDHVJHZLDKFHK-IOXQRTBXSA-N
C38H66N7O18P3S
1033.339789162
O=C(SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)C4(OC4)CCCCCCCCCCCCCC