(Q74412053)

English

chenodeoxycholate-3-O-beta-D-glucoside(1-)

anion

In more languages

Statements

type of chemical entity

0 references

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carboxylate anion

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553.3382067279098 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₉O₉⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(CCC(=O)[O-])C1CCC2C3C(O)CC4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C

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Identifiers

InChI=1S/C30H50O9/c1-15(4-7-23(33)34)18-5-6-19-24-20(9-11-30(18,19)3)29(2)10-8-17(12-16(29)13-21(24)32)38-28-27(37)26(36)25(35)22(14-31)39-28/h15-22,24-28,31-32,35-37H,4-14H2,1-3H3,(H,33,34)/p-1/t15-,16+,17-,18-,19+,20+,21-,22-,24+,25-,26+,27-,28-,29+,30-/m1/s1

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QRLIJDGVRXVHQD-UVMPBBQUSA-M

2 references

ChEBI release 2019-11-01

ChEBI release 2020-09-01

1 reference

matched by identifier from

QRLIJDGVRXVHQD-UVMPBBQUSA-M

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C30H50O9/c1-15(4-7-23(33)34)18-5-6-19-24-20(9-11-30(18,19)3)29(2)10-8-17(12-16(29)13-21(24)32)38-28-27(37)26(36)25(35)22(14-31)39-28/h15-22,24-28,31-32,35-37H,4-14H2,1-3H3,(H,33,34)/p-1/t15-,16+,17-,18-,19+,20+,21-,22-,24+,25-,26+,27-,28-,29+,30-/m1/s1

UniChem compound ID

1 reference

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