(Q105211367)

English

(2Z,4E,6E,8E,10E,12E,14E,16Z)-3-hydroxy-17-(hydroxymethyl)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13-trimethylnonadeca-2,4,6,8,10,12,14,16-octaen-18-yn-1-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

carotenoid

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mass

614.397124828 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₄O₅

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canonical SMILES

O=C(C=C(O)C(=CC=CC(=CC=CC=C(C=CC=C(C#CC1=C(C)CC(O)CC1(C)C)CO)C)C)C)C2(C)CC(O)CC2(C)C

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isomeric SMILES

CC1=C(C#C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)CO)C(C)(C)C[C@H](O)C1

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found in taxon

Mytilus edulis

1 reference

stated in

Animal carotenoids. 32. Carotenoids of Mytilus edulis (edible mussel)

Identifiers

InChI

InChI=1S/C40H54O5/c1-28(16-12-18-30(3)36(44)23-37(45)40(9)26-34(43)25-39(40,7)8)14-10-11-15-29(2)17-13-19-32(27-41)20-21-35-31(4)22-33(42)24-38(35,5)6/h10-19,23,33-34,41-44H,22,24-27H2,1-9H3/b11-10+,16-12+,17-13+,28-14+,29-15+,30-18+,32-19-,36-23-/t33-,34+,40+/m1/s1

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InChIKey

PMAXIQVXYAEDEH-WQYVHLJMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PMAXIQVXYAEDEH-WQYVHLJMSA-N

(Q105211367)

(2Z,4E,6E,8E,10E,12E,14E,16Z)-3-hydroxy-17-(hydroxymethyl)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13-trimethylnonadeca-2,4,6,8,10,12,14,16-octaen-18-yn-1-one

Statements

Identifiers

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