PRD_001016

Glidobactin

Created:	2013-01-25
Last modified:	2023-11-03

PRD_001016 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4FZG.

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1 entry where PRD_001016 is present

Chemical Details
Formal Charge	0
Atom Count	83
Chiral Atom Count	5
Bond Count	83
Aromatic Bond Count	0

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Chemical Component Summary
Name	Glidobactin
Systematic Name (OpenEye OEToolkits)	(2E,4E)-N-[(2S,3R)-1-[[(5S,8S,10S)-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodeca-2,4-dienamide
Formula	C₂₇ H₄₆ N₄ O₆
Molecular Weight	522.677
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(\C=C\C=C/CCCCCCC)NC(C(=O)NC1C(=O)NC(CCC(=O)NCCC(O)C1)C)C(O)C
SMILES	CACTVS	3.370	CCCCCCCC=CC=CC(=O)N[CH]([CH](C)O)C(=O)N[CH]1C[CH](O)CCNC(=O)CC[CH](C)NC1=O
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCC=CC=CC(=O)NC(C(C)O)C(=O)NC1CC(CCNC(=O)CCC(NC1=O)C)O
Canonical SMILES	CACTVS	3.370	CCCCCCC/C=C/C=C/C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[C@@H](O)CCNC(=O)CC[C@H](C)NC1=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCC/C=C/C=C/C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[C@H](CCNC(=O)CC[C@@H](NC1=O)C)O
InChI	InChI	1.03	InChI=1S/C27H46N4O6/c1-4-5-6-7-8-9-10-11-12-13-24(35)31-25(20(3)32)27(37)30-22-18-21(33)16-17-28-23(34)15-14-19(2)29-26(22)36/h10-13,19-22,25,32-33H,4-9,14-18H2,1-3H3,(H,28,34)(H,29,36)(H,30,37)(H,31,35)
InChIKey	InChI	1.03	MCYAPDZYLYAJFS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	72200948

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.