07D

Summary

Name:	Trans-Geranyl BACTERIOCHLOROPHYLL A
Formula:	C55 H64 Mg N4 O6
Formal charge:	2
Formula weight:	901.425 Da
Component type:	non-polymer
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C55H65N4O6.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;/h17,19,21,25,27-29,51H,13-16,18,20,22-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b31-19+,32-21+,33-25+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-;/t51-;/m1./s1
InChIKey	InChI	1.03	ZBSZXIUSELHDGQ-POZHEDQMSA-M
SMILES_CANONICAL	CACTVS	3.385	CCc1c(C)c2C=C3N=C(C=C4[N@]5[Mg]n2c1C=C6N=C7C(=C5C(=C4C)CCC(=O)OC\C=C(/C)CC\C=C(C)\CC/C=C(C)/CCC=C(C)C)[C@@H](C(=O)OC)C(=O)C7=C6C)C(=C3C(C)=O)C
SMILES	CACTVS	3.385	CCc1c(C)c2C=C3N=C(C=C4[N]5[Mg]n2c1C=C6N=C7C(=C5C(=C4C)CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)[CH](C(=O)OC)C(=O)C7=C6C)C(=C3C(C)=O)C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)C(=O)C)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C
SMILES	OpenEye OEToolkits	2.0.7	CCc1c(c2n3c1C=C4C(=C5C(=O)C(C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)C(=O)C)C)CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)OC)C)C