(Q27149245)

5,7,24(28)-Ergostatrienol (English)

8 October 2016

chemical formula

C₂₈H₄₄O

1 reference

5,7,24(28)-Ergostatrienol (English)

8 October 2016

canonical SMILES

CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C

1 reference

5,7,24(28)-Ergostatrienol (English)

8 October 2016

isomeric SMILES

C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C

1 reference

5,7,24(28)-Ergostatrienol (English)

InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18,20,22,24-26,29H,3,7-8,11-17H2,1-2,4-6H3/t20-,22+,24-,25+,26?,27+,28-/m1/s1

8 October 2016

Identifiers

InChI

1 reference

5,7,24(28)-Ergostatrienol (English)

ZEPNVCGPJXYABB-CPGDAPNVSA-N

8 October 2016

InChIKey

2 references

5,7,24(28)-Ergostatrienol (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3beta,9xi)-Ergosta-5,7,24(28)-trien-3-ol (English)

8 October 2016

1 reference

5,7,24(28)-Ergostatrienol (English)

8 October 2016

ChEBI ID

80095

mapping relation type

1 reference

Human Metabolome Database ID

5,7,24(28)-Ergostatrienol (English)

8 October 2016

1 reference

HMDB0060404

1 reference

based on heuristic

inferred from InChIKey

1 reference

5,7,24(28)-Ergostatrienol (English)