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geranylgeranyl-bacteriochlorophyllide a

MNXM18045 is deprecated and here replaced by MNXM731877
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM731877 Image of MNXM731877
referencechebi:90849
formulaC55H67MgN4O6
global charge-1
mol weight904.468
InChIKeySLHJCOLVGKWTAP-KHPXXVTNSA-M
InChIInChI=1S/C55H68N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h17,19,21,25,27-29,34-35,39-40H,13-16,18,20,22-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-2;+2/p-1/b31-19+,32-21+,33-25+;/t34-,35+,39-,40+;/m1./s1
SMILESCC[C@H]1C2=CC3=C(C)C4=C5C(=C6[C@@H](CCC(=O)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@H](C)C7=[N+]6[Mg-2]6(N8C(=C7)C(C)=C(C(C)=O)C8=CC(=[N+]26)[C@@H]1C)N35)[C-](C(=O)OC)C4=O
MNX internals
InChI (mnx)InChI=1/C55H69N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h17,19,21,25,27-29,34-35,39-40H,13-16,18,20,22-24,26H2,1-12H3,(H2,56,57,58,59,60,62);/q-1;+2/b31-19+,32-21+,33-25+;/t34-,35+,39-,40+;/m1./s1 Image of MNXM731877
SMILES (mnx)[CH3:1][CH2:13][C@@H:39]1[C@@H:34]([CH3:7])[C:41]2=[CH:29][C:46]3=[N:57][C:43](=[C:36]([CH3:9])[C:48]3=[C:38]([CH3:11])[OH:60])[CH:27]=[C:42]3[C@@H:35]([CH3:8])[C@H:40]([CH2:23][CH2:24][C:47](=[O:61])[O:65][CH2:26]/[CH:25]=[C:33](\[CH3:6])[CH2:22][CH2:16]/[CH:21]=[C:32](\[CH3:5])[CH2:20][CH2:15]/[CH:19]=[C:31](\[CH3:4])[CH2:18][CH2:14][CH:17]=[C:30]([CH3:2])[CH3:3])[C:52](=[C:50]4[C-:51]([C:55](=[O:63])[O:64][CH3:12])[C:54](=[O:62])[C:49]5=[C:37]([CH3:10])[C:44](=[CH:28][C:45]1=[NH+:56]2)[N:59]=[C:53]54)[N-:58]3.[Mg+2:66]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:90849
chebi:90849
SLHJCOLVGKWTAP-KHPXXVTNSA-M 		geranylgeranyl-bacteriochlorophyllide a
[methyl (3S,4S,13R,14R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylatato(3-)-kappa(4)N(23),N(24),N(25),N(26)]magnesate(1-)
geranylgeranyl bacteriochlorophyllide a(1-)

SLM:000501119
slm:000501119
SLHJCOLVGKWTAP-KHPXXVTNSA-M 		geranylgeranyl-bacteriochlorophyllide a