(Q104945444)

English

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

carotenoid

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mass

730.480854452 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₆H₆₆O₇

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canonical SMILES

OCC1OC(OC2CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC3=C(C)CC(O)CC3(C)C)C)C)C)C)C(C)(C)C2)C)C(O)C(O)C1O

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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)/C=C/C2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1

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found in taxon

Pantoea agglomerans

1 reference

stated in

Functional assignment of Erwinia herbicola Eho10 carotenoid genes expressed in Escherichia coli

Pantoea ananatis

1 reference

stated in

Elucidation of the Erwinia uredovora carotenoid biosynthetic pathway by functional analysis of gene products expressed in Escherichia coli

Identifiers

InChI

InChI=1S/C46H66O7/c1-30(17-13-19-32(3)21-23-38-34(5)25-36(48)27-45(38,7)8)15-11-12-16-31(2)18-14-20-33(4)22-24-39-35(6)26-37(28-46(39,9)10)52-44-43(51)42(50)41(49)40(29-47)53-44/h11-24,36-37,40-44,47-51H,25-29H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,30-15+,31-16+,32-19+,33-20+/t36-,37+,40+,41+,42-,43+,44+/m0/s1

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InChIKey

BSWLTLQDCPLUPH-KRJGRXGMSA-N

0 references

1 reference

15 September 2022

(Q104945444)

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxane-3,4,5-triol

Statements

Identifiers

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