(Q123342590)

English

13Z-beta,beta-Carotene-3R,3R'-diol

chemical compound

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instance of

type of chemical entity

0 references

1 reference

568.4280310319999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

cis-Zeaxanthin

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,3'R,15-cis)-b,b-Carotene-3,3'-diol

1 reference

1 reference

1 reference

15Z-β,β-carotene-3R,3R'-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₅₆O₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1[C@@](C)(C)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[C@H](O)CC=2C)=C(C)C[C@H]1O

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Identifiers

InChI

InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11-,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1

1 reference

based on heuristic

inferred from SMILES

InChIKey

JKQXZKUSFCKOGQ-RFVVUROPSA-N

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

JKQXZKUSFCKOGQ-RFVVUROPSA-N

ChEBI ID

176075

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11-,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1

DSSTox substance ID

DTXSID201316480

1 reference

matched by identifier from

InChIKey

JKQXZKUSFCKOGQ-RFVVUROPSA-N

Human Metabolome Database ID

HMDB0003240

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JKQXZKUSFCKOGQ-RFVVUROPSA-N

KNApSAcK ID

C00062387

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JKQXZKUSFCKOGQ-RFVVUROPSA-N

LIPID MAPS ID

LMPR01070288

0 references

(Q123342590)

13Z-beta,beta-Carotene-3R,3R'-diol

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