Search MNXref
 Feedback

Polymyxin B Sulfate

PropertiesImage
MNX_IDMNXM1108422 Image of MNXM1108422
referencehmdb:HMDB0014919
formulaC56H98N16O13
global charge0
mol weight1203.499
InChIKeyWQVJHHACXVLGBL-UHFFFAOYSA-N
InChIInChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)
SMILESCCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCN)NC1=O)C(C)O
MNX internals
InChI (mnx)InChI=1/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)/t32?,33?,34?,36?,37?,38?,39?,40?,41?,42?,43?,45?,46? Image of MNXM1108422
SMILES (mnx)[CH3:1][CH2:7][CH:32]([CH3:4])[CH2:13][CH2:11][CH2:12][CH2:16][C:44](=[N:63][CH:36]([CH2:17][CH2:23][NH2:57])[C:51](=[N:72][CH:46]([CH:34]([CH3:6])[OH:74])[C:56](=[N:68][CH:39]([CH2:20][CH2:26][NH2:60])[C:48](=[N:67][CH:41]1[CH2:22][CH2:28][N:62]=[C:55]([OH:84])[CH:45]([CH:33]([CH3:5])[OH:73])[N:71]=[C:52]([OH:81])[CH:40]([CH2:21][CH2:27][NH2:61])[N:65]=[C:47]([OH:76])[CH:37]([CH2:18][CH2:24][NH2:58])[N:66]=[C:53]([OH:82])[CH:42]([CH2:29][CH:31]([CH3:2])[CH3:3])[N:69]=[C:54]([OH:83])[CH:43]([CH2:30][C:35]2=[CH:14][CH:9]=[CH:8][CH:10]=[CH:15]2)[N:70]=[C:49]([OH:78])[CH:38]([CH2:19][CH2:25][NH2:59])[N:64]=[C:50]1[OH:79])[OH:77])[OH:85])[OH:80])[OH:75]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0014919
WQVJHHACXVLGBL-UHFFFAOYSA-N 		Polymyxin B Sulfate
Aerosporin
N-[3-Amino-1-({1-[(3-amino-1-{[6,9,18-tris(2-aminoethyl)-15-benzyl-2,5,8,11,14,17,20-heptahydroxy-3-(1-hydroxyethyl)-12-(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)-15-benzyl-3-(1-hydroxyethyl)-12-(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
Polymixin b sulfate
Polymixin b sulphate
Polymyxin b
Polymyxin b sulfate
Polymyxin b sulfate salt
Polymyxin b sulfuric acid
Polymyxin b sulphate
Polymyxin b sulphate salt
Polymyxin b sulphuric acid
Sulfate, polymyxin b
polymyxin B sulfate

hmdb:HMDB14919 		secondary/obsolete/fantasy identifier