Record Information
public_id FDB013716
Chemical Information
name alpha-Carotene
description Widespread carotenoid, e.g. in carrots and palm oil. Has vitamin A activity but less than that of b-Carotene Apha-carotene is one of the primary isomer of carotene. plasma levels of alpha-carotene is positively associated with the detection rate of (theaflatoxin B1)AFB1-DNA adducts in a dose-dependent manner, whereas plasma lycopene level was inversely related to the presence of the adducts in urine.(PMID: 9214602)
cas_number 7488-99-5
Properties
created_at 2010-04-08 22:10:52
updated_at 2012-02-06 17:21:17
moldb_smiles C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)/C=C/C=C(\C)/C=C/[C@H]1C(C)=CCCC1(C)C
moldb_formula C40H56
moldb_average_mass 536.8726
moldb_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+/t37-/m0/s1
moldb_mono_mass 536.438201792
moldb_inchikey InChIKey=ANVAOWXLWRTKGA-NTXLUARGSA-N
moldb_iupac 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-1-ene
Structure Thumb
Synonyms
Synonym Source
(+)-alpha-Carotene biospider
(6'R)-beta,epsilon-Carotene biospider
4',5'-Didehydro-5',6'-dihydro-beta,beta-carotene biospider
all-trans-alpha-Carotene biospider
alpha-Carotene biospider
beta,epsilon-Carotene biospider
(R)-alpha-Carotene db_source