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staphyloxanthin

PropertiesImage
MNX_IDMNXM5932 Image of MNXM5932
referencechebi:71690
formulaC51H78O8
global charge0
mol weight819.177
InChIKeyPDOUICUKTQRPHO-MENSNCDRSA-N
InChIInChI=1S/C51H78O8/c1-10-39(4)26-17-15-13-11-12-14-16-18-36-46(52)57-37-45-47(53)48(54)49(55)51(58-45)59-50(56)44(9)35-24-34-43(8)33-23-31-41(6)28-20-19-27-40(5)30-22-32-42(7)29-21-25-38(2)3/h19-20,22-25,27-28,30-35,39,45,47-49,51,53-55H,10-18,21,26,29,36-37H2,1-9H3/b20-19+,30-22+,31-23+,34-24+,40-27+,41-28+,42-32+,43-33+,44-35+/t39?,45-,47-,48+,49-,51+/m1/s1
SMILESCCC(C)CCCCCCCCCCC(=O)OC[C@H]1O[C@@H](OC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C51H78O8/c1-10-39(4)26-17-15-13-11-12-14-16-18-36-46(52)57-37-45-47(53)48(54)49(55)51(58-45)59-50(56)44(9)35-24-34-43(8)33-23-31-41(6)28-20-19-27-40(5)30-22-32-42(7)29-21-25-38(2)3/h19-20,22-25,27-28,30-35,39,45,47-49,51,53-55H,10-18,21,26,29,36-37H2,1-9H3/b20-19+,30-22+,31-23+,34-24+,40-27+,41-28+,42-32+,43-33+,44-35+/t39?,45-,47-,48+,49-,51+/m1/s1 Image of MNXM5932
SMILES (mnx)[CH3:1][CH2:10][CH:39]([CH3:4])[CH2:26][CH2:17][CH2:15][CH2:13][CH2:11][CH2:12][CH2:14][CH2:16][CH2:18][CH2:36][C:46](=[O:52])[O:57][CH2:37][C@@H:45]1[C@@H:47]([OH:53])[C@H:48]([OH:54])[C@@H:49]([OH:55])[C@H:51]([O:59][C:50](/[C:44]([CH3:9])=[CH:35]/[CH:24]=[CH:34]/[C:43]([CH3:8])=[CH:33]/[CH:23]=[CH:31]/[C:41]([CH3:6])=[CH:28]/[CH:20]=[CH:19]/[CH:27]=[C:40]([CH3:5])/[CH:30]=[CH:22]/[CH:32]=[C:42](\[CH3:7])[CH2:29][CH2:21][CH:25]=[C:38]([CH3:2])[CH3:3])=[O:56])[O:58]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71690
chebi:71690
PDOUICUKTQRPHO-MENSNCDRSA-N 		staphyloxanthin
1-O-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoyl]-6-O-(12-methyltetradecanoyl)-beta-D-glucopyranose
8'-apo-psi,psi-carotenoic acid, 6-O-(12-methyl-1-oxotetradecyl)-alpha-D-glucopyranosyl ester
beta-D-glucopyranosyl 1-O-(4,4'-diaponeurosporen-4-oate)-6-O-(12-methyltetradecanoate)

kegg.compound:C16148
keggC:C16148
PDOUICUKTQRPHO-MENSNCDRSA-N 		Staphyloxanthin

lipidmaps:LMPR0106010043
lipidmapsM:LMPR0106010043
PDOUICUKTQRPHO-MENSNCDRSA-N 		Staphyloxanthin
2,6,10,15,19,23-hexamethyltetracosa-2E,4E,6E,8E,10E,12E,14E,16E,18E,22-decaenoyl]-6-O-(12-methyltetradecanoyl)-beta-D-glucopyranose
beta-D-glucopyranosyl 1-O-(4,4'-diaponeurosporen-4-oate)-6-O-(12-methyltetradecanoate)

seed.compound:cpd14869
seedM:cpd14869
PDOUICUKTQRPHO-MENSNCDRSA-N 		Staphyloxanthin
beta-D-glucopyranosyl 1-O-(4,4'-diaponeurosporen-4-oate)-6-O-(12-methyltetradecanoate)
staphyloxanthin

metacyc.compound:CPD-9916
metacycM:CPD-9916
PDOUICUKTQRPHO-MENSNCDRSA-N 		staphyloxanthin
beta-D-glucopyranosyl 1-O-(4,4'-diaponeurosporen-4-oate)-6-O-(12-methyltetradecanoate)

keggC:M_C16148
seedM:M_cpd14869 		secondary/obsolete/fantasy identifier