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alpha-cryptoxanthin

MNXM3903 is deprecated and here replaced by MNXM735275
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735275 Image of MNXM735275
referencechebi:10223
formulaC40H56O
global charge0
mol weight552.887
InChIKeyORAKUVXRZWMARG-XBBNTEQGSA-N
InChIInChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,36,38,41H,15,22,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,38-/m0/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)CCCC1(C)C
MNX internals
InChI (mnx)InChI=1/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,36,38,41H,15,22,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,38-/m0/s1 Image of MNXM735275
SMILES (mnx)[CH3:1][C:30](=[CH:16]\[CH:11]=[CH:12]\[CH:17]=[C:31]([CH3:2])\[CH:19]=[CH:14]\[CH:21]=[C:33]([CH3:4])\[CH:24]=[CH:26]\[C@H:38]1[C:35]([CH3:6])=[CH:28][C@H:36]([OH:41])[CH2:29][C:40]1([CH3:9])[CH3:10])/[CH:18]=[CH:13]/[CH:20]=[C:32]([CH3:3])/[CH:23]=[CH:25]/[C:37]1=[C:34]([CH3:5])[CH2:22][CH2:15][CH2:27][C:39]1([CH3:7])[CH3:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:10223
chebi:10223
ORAKUVXRZWMARG-XBBNTEQGSA-N 		alpha-cryptoxanthin
(3'R,6'R)-beta,epsilon-caroten-3'-ol
alpha-Cryptoxanthin
hmdb:HMDB0304657
ORAKUVXRZWMARG-AALGFZACSA-N 		Cryptoxanthin-alpha
(1R,4R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-ol