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vancomycin

MNXM88707 is deprecated and here replaced by MNXM1372116
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372116 Image of MNXM1372116
referencechebi:76842
formulaC66H76Cl2N9O24
global charge1
mol weight1450.279
InChIKeyMYPYJXKWCTUITO-LYRMYLQWSA-O
InChIInChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/p+1/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1
SMILESC[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-])C4=C(C(O)=CC(O)=C4)C4=CC3=CC=C4O)[C@H](O)C3=CC=C(OC4=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@H]5C[C@](C)([NH3+])[C@H](O)[C@H](C)O5)C(=CC2=C4)OC2=C(Cl)C=C(C=C2)[C@H]1O)C(Cl)=C3
MNX internals
InChI (mnx)InChI=1/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1 Image of MNXM1372116
SMILES (mnx)[CH3:1][CH:23]([CH3:2])[CH2:12][C@H:34]([C:58](=[N:76][C@@H:49]1[C@H:51]([OH:83])[C:26]2=[CH:7][CH:10]=[C:38]([C:32]([Cl:67])=[CH:14]2)[O:97][C:40]2=[C:55]([O:101][C@H:65]3[C@H:56]([O:100][C@H:44]4[CH2:21][C@:66]([CH3:4])([NH2:70])[C@H:57]([OH:87])[C@H:24]([CH3:3])[O:96]4)[C@@H:54]([OH:86])[C@H:53]([OH:85])[C@@H:42]([CH2:22][OH:78])[O:99]3)[C:41]3=[CH:17][C:28](=[CH:16]2)[C@H:47]([C:61]([OH:91])=[N:74][C@@H:46]2[C:25]4=[CH:13][C:30](=[C:36]([OH:80])[CH:9]=[CH:6]4)[C:45]4=[C:31]([CH:18]=[C:29]([OH:79])[CH:19]=[C:37]4[OH:81])[C@@H:48]([C:64](=[O:94])[OH:95])[N:75]=[C:63]([OH:93])[C@H:50]([C@H:52]([OH:84])[C:27]4=[CH:8][CH:11]=[C:39]([C:33]([Cl:68])=[CH:15]4)[O:98]3)[N:77]=[C:60]2[OH:90])[N:73]=[C:59]([OH:89])[C@H:35]([CH2:20][C:43](=[NH:69])[OH:82])[N:72]=[C:62]1[OH:92])[OH:88])[NH:71][CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76842
chebi:76842
MYPYJXKWCTUITO-LYRMYLQWSA-O 		vancomycin
vancomycin(1+)

kegg.compound:C06689
keggC:C06689
MYPYJXKWCTUITO-LYRMYLQWSA-N 		Vancomycin

kegg.drug:D00212
keggD:D00212
MYPYJXKWCTUITO-LYRMYLQWSA-N 		Vancomycin (USP)
Vancocin (TN)
hmdb:HMDB0014653
MYPYJXKWCTUITO-LYRMYLQWSA-N 		Vancomycin
(1S,2R,18R,19R,22S,25R,28R,40S)-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-(carbamoylmethyl)-5,47-dichloro-2,18,32,35,37-pentahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2³,⁶.2¹⁴,¹⁷.1⁸,¹².1²⁹,³³.0¹⁰,²⁵.0³⁴,³⁹]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid
(1S,2R,18R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-48-[2-O-(3-amino-2,3,6-trideoxy-3-methyl-a-L-lyxo-hexopyranosyl)-b-D-glucopyranosyloxy]-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-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-carboxylate
(1S,2R,18R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-48-[2-O-(3-amino-2,3,6-trideoxy-3-methyl-a-L-lyxo-hexopyranosyl)-b-D-glucopyranosyloxy]-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-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
(1S,2R,18R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-48-[2-O-(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-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-carboxylate
(1S,2R,18R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-48-[2-O-(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-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
(2.2Sp,3.5Sa,2.6Sp)-O(4.2),C(3.4):C(5.4),O(4.6):c(3.5),C(2.7)-tricyclo[N-methyl-D-leucyl-3-chloro-(R)-b-hydroxy-D-tyrosyl-L-asparaginyl-D-2-(4-{[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-lyxo-hexopyranosyl)-b-D-glucopyranosyl]oxy}phenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-3-chloro-(R)-b-hydroxy-L-tyrosyl-L-2-(3,5-dihydroxyphenyl)glycine]
(2.2Sp,3.5Sa,2.6Sp)-O(4.2),C(3.4):C(5.4),O(4.6):c(3.5),C(2.7)-tricyclo[N-methyl-D-leucyl-3-chloro-(R)-beta-hydroxy-D-tyrosyl-L-asparaginyl-D-2-(4-{[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl]oxy}phenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-3-chloro-(R)-beta-hydroxy-L-tyrosyl-L-2-(3,5-dihydroxyphenyl)glycine]
AB-vancomycin
Abbott brand OF vancomycin hydrochloride
Azupharma brand OF vancomycin hydrochloride
Cell pharm brand OF vancomycin hydrochloride
Chiesi brand OF vancomycin hydrochloride
Combino brand OF vancomycin hydrochloride
Curasan brand OF vancomycin hydrochloride
Dakota brand OF vancomycin hydrochloride
Diatracin
Dista brand OF vancomycin hydrochloride
Eli lilly brand OF vancomycin hydrochloride
Hexal brand OF vancomycin hydrochloride
Hydrochloride, vancomycin
Lilly brand OF vancomycin hydrochloride
MIP brand OF vancomycin hydrochloride
Norman brand OF vancomycin hydrochloride
Ratiopharm brand OF vancomycin hydrochloride
Sulfate, vancomycin
Vanco azupharma
Vanco-cell
Vanco-saar
Vancocin
Vancocin HCL
Vancocine
Vancomicin
Vancomicina
Vancomicina abbott
Vancomicina chiesi
Vancomicina combino phar
Vancomicina norman
Vancomycin HCL
Vancomycin hexal
Vancomycin hydrochloride
Vancomycin lilly
Vancomycin phosphate (1:2)
Vancomycin phosphate (1:2), decahydrate
Vancomycin sulfate
Vancomycin-ratiopharm
Vancomycine
Vancomycine dakota
Vancomycinum
vancomycin

seed.compound:cpd04090
seedM:cpd04090
MYPYJXKWCTUITO-PEXDLSFLSA-O 		Vancomycin
vancomycin

metacyc.compound:CPD-12245
metacycM:CPD-12245
MYPYJXKWCTUITO-PEXDLSFLSA-O 		vancomycin

CHEBI:28001
chebi:28001
MYPYJXKWCTUITO-LYRMYLQWSA-N 		vancomycin
(1S,2R,18R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-48-[2-O-(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-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
(2.2Sp,3.5Sa,2.6Sp)-O(4.2),C(3.4):C(5.4),O(4.6):C(3.5),C(2.7)-tricyclo[N-methyl-D-leucyl-3-chloro-(R)-beta-hydroxy-D-tyrosyl-L-asparaginyl-D-2-(4-{[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl]oxy}phenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-3-chloro-(R)-beta-hydroxy-L-tyrosyl-L-2-(3,5-dihydroxyphenyl)glycine]
(3S,6R,7R,11R,23S,26S,30aS,36R,38aR)-44-[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-3-(carbamoylmethyl)-10,19-dichloro-2,3,4,5,6,7,23,25,26,36,37,38,38a-tetradecahydro-7,22,28,30,32-pentahydroxy-6-(N-methyl-D-leucyl)-2,5,24,38,39-pentaoxo-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-26-carboxylic acid
VANCOMYCIN
Vancocin
Vancomycin
vancomicin
vancomicina
vancomycine
vancomycinum

hmdb:HMDB14653
chebi:27276
chebi:49941
chebi:9931
keggC:M_C06689
keggD:M_D00212
seedM:M_cpd04090 		secondary/obsolete/fantasy identifier