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devancoaminyl-vancomycin

MNXM163794 is deprecated and replaced by MNXM145599

Properties

Image

Occurences in reactions

MNX_ID

MNXM145599

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₅₉H₆₂Cl₂N₈O₂₂

charge

mass

1304.33557

reference

chebi:75953

InChIKey

QCHYVJAUGVHJHX-PZIRYZLHSA-N

InChI

InChI=1S/C59H62Cl2N8O22/c1-20(2)10-30(63-3)52(80)68-44-46(75)22-5-8-34(28(60)12-22)88-36-14-24-15-37(51(36)91-59-50(79)49(78)48(77)38(19-70)90-59)89-35-9-6-23(13-29(35)61)47(76)45-57(85)67-43(58(86)87)27-16-25(71)17-33(73)40(27)26-11-21(4-7-32(26)72)41(54(82)69-45)66-55(83)42(24)65-53(81)31(18-39(62)74)64-56(44)84/h4-9,11-17,20,30-31,38,41-50,59,63,70-73,75-79H,10,18-19H2,1-3H3,(H2,62,74)(H,64,84)(H,65,81)(H,66,83)(H,67,85)(H,68,80)(H,69,82)(H,86,87)/t30-,31+,38-,41-,42-,43+,44-,45+,46-,47-,48-,49+,50-,59+/m1/s1

SMILES

C[NH2+][C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccc(cc2Cl)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:75953 chebi:75953	devancoaminyl-vancomycin devancoaminyl vancomycin zwitterion vancomycin pseudoaglycone
kegg.compound:C20720 keggC:C20720	Desvancosaminyl-vancomycin Devancosaminyl-vancomycin Vancomycin pseudoaglycone
seed.compound:cpd31297 seedM:cpd31297	Desvancosaminyl-vancomycin Vancomycin pseudoaglycone
CHEBI:47395 chebi:47395	devancoaminyl vancomycin (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-{[(2R)-4-methyl-2-(methylamino)pentanoyl]amino}-20,23,26,42,44-pentaoxo-48-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2(3,6).2(14,17).1(8,12).1(29,33).0(10,25).0(34,39)]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid Desvancosaminyl Vancomycin pseudovancomycin vancomycin pseudoaglycone
metacyc.compound:CPD-15744 metacycM:CPD-15744 seed.compound:cpd33252 seedM:cpd33252	devancosaminyl-vancomycin vancomycin pseudoaglycone
keggC:M_C20720 seedM:M_cpd31297 seedM:M_cpd33252	secondary/obsolete/fantasy identifier