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Sulfochenodeoxycholate

PropertiesImageOccurences in reactions
MNX_IDMNXM163000Image of MNXM163000
#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 9
formulaC24H40O7S
charge0
mass472.24947
referencebiggM:HC02220
InChIKeyWHMOBEGYTDWMIG-HEGLNSLBSA-N
InChIInChI=1S/C24H40O7S/c1-14(4-7-21(26)27)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(31-32(28,29)30)12-15(23)13-20(22)25/h14-20,22,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/t14-,15+,16-,17-,18+,19+,20?,22+,23+,24-/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(O)C[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:HC02220
biggM:HC02220
Sulfochenodeoxycholate
biggM:M_HC02220 secondary/obsolete/fantasy identifier