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Summary Geometry Related PDB entries

GZ7

Summary

Name:	10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium
Formula:	C23 H30 N5 O4
Formal charge:	1
Formula weight:	440.515 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium
OpenEye OEToolkits	2.0.6	7-[8-(cyclopentylamino)-7-methyl-2,4-bis(oxidanyl)benzo[g]pteridin-10-ium-10-yl]heptanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(c2c(nc(n1)O)[n+](CCCCCCC(=O)O)c3cc(c(cc3n2)C)NC4CCCC4)O
InChI	InChI	1.03	InChI=1S/C23H29N5O4/c1-14-12-17-18(13-16(14)24-15-8-5-6-9-15)28(11-7-3-2-4-10-19(29)30)21-20(25-17)22(31)27-23(32)26-21/h12-13,15H,2-11H2,1H3,(H3,24,26,27,29,30,31,32)/p+1
InChIKey	InChI	1.03	AJTKEKBUVMMJJR-UHFFFAOYSA-O
SMILES_CANONICAL	CACTVS	3.385	Cc1cc2nc3c(O)nc(O)nc3[n+](CCCCCCC(O)=O)c2cc1NC4CCCC4
SMILES	CACTVS	3.385	Cc1cc2nc3c(O)nc(O)nc3[n+](CCCCCCC(O)=O)c2cc1NC4CCCC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1cc2c(cc1NC3CCCC3)[n+](c4c(n2)c(nc(n4)O)O)CCCCCCC(=O)O
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc2c(cc1NC3CCCC3)[n+](c4c(n2)c(nc(n4)O)O)CCCCCCC(=O)O

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PDB entries from 2024-07-17

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