(Q105275958)

English

(1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol

chemical compound

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instance of

type of chemical entity

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subclass of

3,5,5-trimethyl-4-[(3E,5E,7E,9E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-yn-1-yl]cyclohex-3-en-1-ol

1 reference

based on heuristic

inferred from SMILES

mass

550.417466348 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₄O

0 references

canonical SMILES

OC1CC(=C(C#CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2C(=CCCC2(C)C)C)C)C)C)C)C(C)(C)C1)C

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isomeric SMILES

CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC1=C(C)C[C@@H](O)CC1(C)C

0 references

found in taxon

Corbicula japonica

1 reference

stated in

Carotenoids in three species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam).

Corbicula sandai

1 reference

stated in

Carotenoids in three species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam).

Mytilus edulis

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-23,25,36-37,41H,15,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1

0 references

InChIKey

UNFSUWGHNYXWHO-SEHWBYMQSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

UNFSUWGHNYXWHO-SEHWBYMQSA-N

1 reference

1 reference

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

retrieved

15 January 2022

InChIKey

UNFSUWGHNYXWHO-SEHWBYMQSA-N

(Q105275958)

(1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol

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