PRD_000882

MonodeChloro- Teicoplanin A2-2

PRD_000882 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3VFJ.

Find entries where PRD_000882 is present

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	MonodeChloro- Teicoplanin A2-2
Identifiers	n/a
Formula	C₈₈ H₉₈ Cl N₉ O₃₃
Molecular Weight	1,845.213
Type	PEPTIDE-LIKE
Isomeric SMILES	CC(C)CCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2c3cc4cc2Oc5ccc(cc5Cl)C[C@@H]6C(=O)N[C@@H](c7cc(cc(c7)Oc8cc(ccc8O)[C@H](C(=O)N6)N)O)C(=O)N[C@H]4C(=O)N[C@@H]9c1ccc(c(c1)-c1c(cc(cc1O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)[C@H](NC(=O)[C@H]([C@@H](c1ccc(cc1)O3)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)NC9=O)C(=O)O)O)CO)O)O
InChI	InChI=1S/C88H98ClN9O33/c1-34(2)8-6-4-5-7-9-60(107)93-68-74(112)71(109)58(32-100)128-87(68)131-78-55-26-41-27-56(78)125-52-19-10-36(20-48(52)89)21-49-79(115)94-64(40-22-42(103)28-45(23-40)124-53-25-38(13-18-51(53)106)62(90)80(116)92-49)82(118)96-65(41)83(119)95-63-39-14-17-50(105)46(24-39)61-47(29-43(104)30-54(61)126-88-76(114)75(113)72(110)59(33-101)129-88)66(85(121)122)97-84(120)69(98-81(63)117)77(37-11-15-44(123-55)16-12-37)130-86-67(91-35(3)102)73(111)70(108)57(31-99)127-86/h10-20,22-30,34,49,57-59,62-77,86-88,99-101,103-106,108-114H,4-9,21,31-33,90H2,1-3H3,(H,91,102)(H,92,116)(H,93,107)(H,94,115)(H,95,119)(H,96,118)(H,97,120)(H,98,117)(H,121,122)/t49-,57+,58-,59+,62+,63+,64+,65-,66+,67?,68+,69-,70?,71+,72+,73+,74-,75-,76-,77+,86-,87+,88-/m0/s1
InChIKey	YQACSCJJDIQXSR-CNSWCNFNSA-N
Composition	Polymer Sequences: GHP-3MY-3FG-GHP-GHP-OMX-3FG
BIRD class	ANTIBIOTIC
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	229
Chiral Atom Count	23
Bond Count	242
Aromatic Bond Count	42

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.