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(3R,3'R,13-cis)-b,b-Carotene-3,3'-diol

MNXM403 is deprecated and here replaced by MNXM1364626
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1364626 Image of MNXM1364626
referencechebi:176075
formulaC40H56O2
global charge0
mol weight568.886
InChIKeyJKQXZKUSFCKOGQ-RFVVUROPSA-N
InChIInChI=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
SMILESCC1=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)C1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1364626
SMILES (mnx)[CH3:1][C:29](=[CH:15]\[CH:11]=[CH:12]/[CH:16]=[C:30]([CH3:2])/[CH:18]=[CH:14]/[CH:20]=[C:32]([CH3:4])/[CH:22]=[CH:24]/[C:38]1=[C:34]([CH3:6])[CH2:26][C@@H:36]([OH:42])[CH2:28][C:40]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:31]([CH3:3])/[CH:21]=[CH:23]/[C:37]1=[C:33]([CH3:5])[CH2:25][C@@H:35]([OH:41])[CH2:27][C:39]1([CH3:7])[CH3:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176075
chebi:176075
JKQXZKUSFCKOGQ-RFVVUROPSA-N 		(3R,3'R,13-cis)-b,b-Carotene-3,3'-diol
(1R)-4-[(1E,3E,5E,7E,9Z,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-ol
hmdb:HMDB0003240
JKQXZKUSFCKOGQ-RFVVUROPSA-N 		(3R,3'R,15-cis)-beta,beta-Carotene-3,3'-diol
(15Z)-Zeaxanthin
(1R)-4-[(1E,3E,5E,7E,9Z,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol
(3R,3'R,15-cis)-beta,beta-carotene-3,3'-diol
(3R,3'R,15-cis)-zeaxanthin
(3R,3'r,15-cis)-Zeaxanthin
(3R,3'r,15-cis)-b,b-Carotene-3,3'-diol
(3R,3'r,15-cis)-beta,beta-carotene-3,3'-diol
13Z-beta,beta-carotene-3R,3R'-diol
15-cis-Zeaxanthin

lipidmaps:LMPR01070288
lipidmapsM:LMPR01070288
JKQXZKUSFCKOGQ-RFVVUROPSA-N 		13Z-beta,beta-Carotene-3R,3R'-diol
(3R,3'R,13-cis)-b,b-Carotene-3,3'-diol
13Z-beta,beta-Carotene-3R,3R'-diol

hmdb:HMDB03240 		secondary/obsolete/fantasy identifier