(1R,3S)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol (Q27165741)

CBiol_001816 (English)

9 October 2016

2 references

(5Z,7E)-(1R,3S)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

2 references

2 references

(5Z,7E)-(1S,3R,14R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

2 references

2 references

(5Z,7E)-(1S,3R,20S)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

2 references

(1S,3S,5Z,7E,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol

1 reference

chemical formula

C₂₇H₄₄O₃

1 reference

CBiol_001816 (English)

9 October 2016

canonical SMILES

CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C

1 reference

CBiol_001816 (English)

9 October 2016

isomeric SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C[C@@H](C3=C)O)O)C

1 reference

A community-driven global reconstruction of human metabolism.

CBiol_001816 (English)

9 October 2016

1 reference

tomato

1 reference

stated in

Vitamin D3 and its metabolites in the tomato plant

Identifiers

InChI

InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/t18-,22-,23-,24+,25+,27-/m1/s1

1 reference

CBiol_001816 (English)

GMRQFYUYWCNGIN-ZVUFCXRFSA-N

9 October 2016

InChIKey

2 references

CBiol_001816 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1S,3R)-9,10-Secocholesta-5,7,10-triene-1,3,25-triol (English)

9 October 2016

1 reference

CBiol_001816 (English)

9 October 2016

ChEBI ID

93988

mapping relation type

1 reference

(1R,3S)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol (English)

9 October 2016

1 reference