(Q27155186)

Hyocholic acid (English)

9 October 2016

2 references

(4R)-4-[(3S,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

2 references

(4R)-4-[(3S,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

2 references

(4R)-4-[(3R,5S,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

1 reference

(4R)-4-[(3R,5S,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

1 reference

(4R)-4-[(3R,5S,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

1 reference

3beta,6alpha,7alpha-trihydroxy-5beta-cholan-24-oic acid

1 reference

omega-muricholic acid

1 reference

3alpha,6beta,7alpha-Trihydroxy-5alpha-cholan-24-oic Acid

1 reference

1 reference

alpha-muricholic acid

1 reference

(4R)-4-[(3S,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

1 reference

chemical formula

C₂₄H₄₀O₅

1 reference

Hyocholic acid (English)

9 October 2016

canonical SMILES

CC(CCC(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C

1 reference

Hyocholic acid (English)

9 October 2016

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@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

1 reference

Hyocholic acid (English)

InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

Hyocholic acid (English)

9 October 2016

2 references

Hyocholic acid (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

hyocholic acid (English)

9 October 2016

https://commonchemistry.cas.org/detail?cas_rn=547-75-1

9 April 2021

1 reference

3a,6a,7a-Trihydroxy-5b-cholan-24-oic acid (English)

9 October 2016

2 references

Hyocholic acid (English)

9 October 2016

ChEBI ID

81244

mapping relation type

2 references

hyocholic acid (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1

1 reference

HYOCHOLIC ACID (English)

9 October 2016

2 references

MSBNK-Nihon_Univ-NU000481

1 reference

MassBank accession ID

0 references

MSBNK-Nihon_Univ-NU000482

0 references

MSBNK-Nihon_Univ-NU000483

0 references

MSBNK-Nihon_Univ-NU000484

0 references

MSBNK-Nihon_Univ-NU000485

0 references

MSBNK-BGC_Munich-RP026701

0 references

MSBNK-BGC_Munich-RP026702

0 references

MSBNK-BGC_Munich-RP026703

0 references

SPLASH

splash10-014i-9100100000-afed65bafb1ef012d8a6

0 references

splash10-0ap0-5110900020-18b73529a35650526a4c

0 references

splash10-052r-1010900020-b1f4101e7ad30a7b2fdb

0 references

splash10-0a4r-0001910000-057e298551e821d5d9b9

0 references

DSSTox substance ID

DTXSID20862167

1 reference

Global Substance Registration System

EC number

208-935-8

1 reference

stated in

UNII

2H5H0Q47FL

HYOCHOLIC ACID (English)

ECHA Substance Infocard ID

9 October 2016

100.008.124

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.008.124

27 December 2018

Human Metabolome Database ID

3α,6α,7α-trihydroxy-5β-cholan-24-oic acid (English)

quotation

CAS no.: 547-75-1 (English)

0 references

2 references

Global Substance Registration System

UNII

2H5H0Q47FL

HYOCHOLIC ACID (English)

9 October 2016

0 references

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

hyocholic acid (English)

9 October 2016

1 reference