loading...| Preferred Name |
beta-carotene |
| Synonyms |
1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene) beta-Karotin BETA-CAROTENE beta,beta-carotene beta-Carotene all-trans-beta-carotene |
| Definitions |
A cyclic carotene obtained by dimerisation of all-trans-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A carotenoid. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_17579 |
| charge |
0 |
| database_cross_reference |
MetaCyc:CPD1F-129 PMID:19703237 PMID:20515074 PMID:19852884 PDBeChem:BCR PMID:11359610 PMID:11182771 PMID:11171227 PMID:22079732 PMID:15113067 PMID:16338959 PMID:19896667 PMID:11382814 PMID:11962062 PMID:14997360 PMID:17625873 PMID:22575730 PMID:22309480 PMID:14658721 PMID:22534340 PMID:20074992 CAS:7235-40-7 PMID:19669835 PMID:15949680 Beilstein:1917416 PMID:17708644 PMID:14976384 COMe:MOL000093 PMID:16087476 PMID:18429004 PMID:18794175 LIPID_MAPS_instance:LMPR01070000 PMID:22489215 PMID:15695449 PMID:15949683 PMID:15333155 PMID:11677037 PMID:11332447 PMID:16563447 PMID:19888275 PMID:19480350 PMID:18767554 PMID:15909543 KNApSAcK:C00000919 PMID:19937581 PMID:11714348 Drug_Central:345 HMDB:HMDB0000561 KEGG:C02094 PMID:15789045 PMID:18766464 KEGG:D03101 PMID:11567548 LIPID_MAPS_instance:LMPR01070001 PMID:17851775 PMID:22428124 PMID:12891827 Reaxys:1917416 PMID:14764912 PMID:19574250 Wikipedia:Beta_Carotene PMID:12081834 PMID:16036331 PMID:17004738 |
| definition |
A cyclic carotene obtained by dimerisation of all-trans-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A carotenoid. |
| formula |
C40H56 |
| has_alternative_id |
CHEBI:12392 CHEBI:22834 CHEBI:10355 CHEBI:40987 |
| has_exact_synonym |
BETA-CAROTENE beta,beta-carotene beta-Carotene |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene) beta-Karotin all-trans-beta-carotene |
| id |
CHEBI:17579 |
| in_subset | |
| 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/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ |
| inchikey |
OENHQHLEOONYIE-JLTXGRSLSA-N |
| label |
beta-carotene |
| mass |
536.87264 |
| monoisotopicmass |
536.438 |
| notation |
CHEBI:17579 |
| prefLabel |
beta-carotene |
| smiles |
CC(C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C |
| subClassOf |
http://purl.obolibrary.org/obo/GOCHE_67200 http://purl.obolibrary.org/obo/GOCHE_76924 http://purl.obolibrary.org/obo/GOCHE_26130 http://purl.obolibrary.org/obo/GOCHE_22586 http://purl.obolibrary.org/obo/GOCHE_75771 http://purl.obolibrary.org/obo/CHEBI_35163 |