MSI_000011169

Unreliable

排名分数: 1.86
参考来源: Mus musculus (UBERON:0012378: muscle layer of urinary bladder)

M/z: 853.1475
Mass Window: 853.1475 ~ 853.1475 (none)

参考注释

CoA 4:0;O_[M]+ (BioDeep_00000630284)
(S)-3-hydroxy-2-methylpropanoyl-coenzyme A;(S)-3-hydroxy-2-methylpropionyl-coenzyme A;(S)-3-hydroxyisobutanoyl-CoA;(S)-3-hydroxyisobutanoyl-coenzyme A;(S)-3-hydroxyisobutyryl-coenzyme A

Formula: C25H42N7O18P3S (853.1519822000001)
SMILES:

[C@@H]1([C@H](O)[C@H](OP(=O)(O)O)[C@@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(O)C)=O)O1)N1C=NC2C(N)=NC=NC1=2