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polymyxin A

PropertiesImageOccurences in reactions
MNX_IDMNXM1371145Image of MNXM1371145
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC51H101N16O14
charge5
mass1162.467
referenceseedM:cpd33895
InChIKeyXRBFWBMDMQIAQF-QWWKCOAGSA-S
InChIInChI=1S/C51H96N16O14/c1-8-27(4)11-9-10-12-38(71)58-31(13-19-52)46(76)66-40(29(6)69)50(80)63-34(16-22-55)43(73)61-36-18-24-57-49(79)39(28(5)68)65-47(77)35(17-23-56)60-42(72)33(15-21-54)62-51(81)41(30(7)70)67-48(78)37(25-26(2)3)64-44(74)32(14-20-53)59-45(36)75/h26-37,39-41,68-70H,8-25,52-56H2,1-7H3,(H,57,79)(H,58,71)(H,59,75)(H,60,72)(H,61,73)(H,62,81)(H,63,80)(H,64,74)(H,65,77)(H,66,76)(H,67,78)/p+5/t27?,28?,29?,30?,31-,32-,33-,34+,35-,36-,37+,39-,40-,41-/m0/s1
SMILES[CH3:1][CH2:8][CH:27]([CH3:4])[CH2:11][CH2:9][CH2:10][CH2:12][C:38](=[N:58][C@@H:31]([CH2:13][CH2:19][NH2:52])[C:46](=[N:66][C@@H:40]([CH:29]([CH3:6])[OH:69])[C:50](=[N:63][C@H:34]([CH2:16][CH2:22][NH2:55])[C:43](=[N:61][C@H:36]1[CH2:18][CH2:24][N:57]=[C:49]([OH:79])[C@H:39]([CH:28]([CH3:5])[OH:68])[N:65]=[C:47]([OH:77])[C@H:35]([CH2:17][CH2:23][NH2:56])[N:60]=[C:42]([OH:72])[C@H:33]([CH2:15][CH2:21][NH2:54])[N:62]=[C:51]([OH:81])[C@H:41]([CH:30]([CH3:7])[OH:70])[N:67]=[C:48]([OH:78])[C@@H:37]([CH2:25][CH:26]([CH3:2])[CH3:3])[N:64]=[C:44]([OH:74])[C@H:32]([CH2:14][CH2:20][NH2:53])[N:59]=[C:45]1[OH:75])[OH:73])[OH:80])[OH:76])[OH:71]
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-16444
metacycM:CPD-16444
seed.compound:cpd33895
seedM:cpd33895 		polymyxin A
hmdb:HMDB0256684 Polymyxin M
N-[3-Amino-1-({1-[(3-amino-1-{[6,9,18-tris(2-aminoethyl)-2,5,8,11,14,17,20-heptahydroxy-3,12-bis(1-hydroxyethyl)-15-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclotricosa-1,4,7,10,13,16,19-heptaen-21-yl]-C-hydroxycarbonimidoyl}propyl)-C-hydroxycarbonimidoyl]-2-hydroxypropyl}-C-hydroxycarbonimidoyl)propyl]-6-methyloctanimidate
N-[3-amino-1-({1-[(3-amino-1-{[6,9,18-tris(2-aminoethyl)-3,12-bis(1-hydroxyethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}propyl)carbamoyl]-2-hydroxypropyl}carbamoyl)propyl]-6-methyloctanamide
metacyc.compound:CPD-16461
metacycM:CPD-16461 		polymyxin M
mattacin
seedM:M_cpd33895 secondary/obsolete/fantasy identifier