(Q47459177)

English

α/β-carotene (not stereospecified)

chemical compound

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Statements

instance of

group of stereoisomers

0 references

1 reference

https://plantreactome.gramene.org/PathwayBrowser/#/R-OSA-2744345&DTAB=MT

biogenic aliphatic hydrocarbon

0 references

carotenoid

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mass

536.438201792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₆

0 references

canonical SMILES

C1C(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)CCCC2(C)C)C(C)=CC1

0 references

isomeric SMILES

C\C(\C=C\C=C(/C)\C=C\C1C(C)=CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C

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found in taxon

Aspleniaceae

1 reference

stated in

Carotenoids in sixty-six representatives of the Pteridophyta

Stereocaulon botryosum

1 reference

stated in

The carotenoid content of lichens from Greenland

Perilla frutescens var. crispa

1 reference

stated in

Determination of toxic perilla ketone, secondary plant metabolites and antioxidative capacity in five Perilla frutescens L. varieties

Daucus carota

1 reference

stated in

Peer Reviewed: Innovations in Carotenoid Analysis Using LC/MS

Trifolium semipilosum

1 reference

stated in

Carotenoids of pollen pellets from certain plants

Pisum sativum var. sativum

1 reference

stated in

HPLC Determination of Carotenoids in Fruits and Vegetables in the United States

Brassica oleracea

1 reference

stated in

Plant metabolites and nutritional quality of vegetables

Olea europaea

1 reference

stated in

Pigments of Olea europea

Solanum

1 reference

stated in

Plant metabolites and nutritional quality of vegetables

Identifiers

InChI

InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+

0 references

InChIKey

ANVAOWXLWRTKGA-JLTXGRSLSA-N

1 reference

stated in

ChEBI release 2020-09-01

CAS Registry Number

432-70-2

1 reference

InChIKey

ANVAOWXLWRTKGA-JLTXGRSLSA-N

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=432-70-2

PubChem CID

4369188

1 reference

matched by identifier from

InChIKey

ANVAOWXLWRTKGA-JLTXGRSLSA-N

ChEBI ID

28425

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+

1 reference

MassBank accession ID

MSBNK-Kyoto_Univ-CA000022

0 references

MSBNK-Kyoto_Univ-CA000116

0 references

SPLASH

splash10-000i-2930180000-d48b96766c6ba0f20cdc

0 references

splash10-000i-0000090000-6a375cfbb7629828f0e3

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DSSTox substance ID

DTXSID00893712

1 reference

matched by identifier from

InChIKey

ANVAOWXLWRTKGA-JLTXGRSLSA-N

DSSTOX compound identifier

DTXCID80909522

0 references

Human Metabolome Database ID

0 references

0 references

1 reference

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

retrieved

30 June 2018

(Q47459177)

α/β-carotene (not stereospecified)

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