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(3R,3'S,6'R)-b,e-Carotene-3,3'-diol

MNXM4660 is deprecated and here replaced by MNXM1371523
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371523 Image of MNXM1371523
referencechebi:176081
formulaC40H56O2
global charge0
mol weight568.886
InChIKeyKBPHJBAIARWVSC-IRHPOQNPSA-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/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37+/m1/s1
SMILESCC1=C[C@@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
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/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37+/m1/s1 Image of MNXM1371523
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@H:37]1[C:33]([CH3:5])=[CH: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:176081
chebi:176081
KBPHJBAIARWVSC-IRHPOQNPSA-N 		(3R,3'S,6'R)-b,e-Carotene-3,3'-diol
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-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:HMDB0003415
KBPHJBAIARWVSC-IRHPOQNPSA-N 		(3R,3'S,6'R)-b,e-Carotene-3,3'-diol
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-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's,6'r)-Lutein
3'-Epilutein

lipidmaps:LMPR01070030
lipidmapsM:LMPR01070030
KBPHJBAIARWVSC-IRHPOQNPSA-N 		Lutein B
(3R,3'S,6'R)-beta,epsilon-Carotene-3,3'-diol
3'-Epilutein
Calthaxanthin
hmdb:HMDB0303013
KBPHJBAIARWVSC-RTIVXWJOSA-N 		Lutein ester
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R)-4-hydroxy-2,6,6-trimethylcyclohex-2-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
3,3'-Dihydroxy-alpha-carotene
Lutein F
Lutein g
Lutein, gamma
Luteine
Vegetable lutein
Vegetable luteol
all-trans-(+)-Xanthophyll
all-trans-Lutein
beta,epsilon-Carotene-3,3'-diol
bo-Xan
gamma Lutein
trans-Lutein

hmdb:HMDB03415 		secondary/obsolete/fantasy identifier