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Pyoverdine I

MNXM79797 is deprecated and here replaced by MNXM740312
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM740312 Image of MNXM740312
referencechebi:80048
formulaC55H83N17O22
global charge0
mol weight1334.366
InChIKeyCVWNSOHSMMCZJU-YYVBLSOISA-N
InChIInChI=1S/C55H83N17O22/c1-27(77)43-53(91)59-15-4-3-8-30(46(84)63-33(11-7-19-71(94)26-76)49(87)68-44(28(2)78)54(92)69-43)62-47(85)32(10-6-18-70(93)25-75)65-50(88)35(23-73)66-48(86)31(9-5-16-60-55(56)57)64-51(89)36(24-74)67-52(90)37-14-17-58-45-34(61-41(81)12-13-42(82)83)20-29-21-39(79)40(80)22-38(29)72(37)45/h20-22,25-28,30-33,35-37,43-44,73-74,77-80,93-94H,3-19,23-24H2,1-2H3,(H,59,91)(H,61,81)(H,62,85)(H,63,84)(H,64,89)(H,65,88)(H,66,86)(H,67,90)(H,68,87)(H,69,92)(H,82,83)(H4,56,57,60)/t27-,28-,30+,31+,32+,33+,35-,36-,37+,43+,44+/m1/s1
SMILESC[C@@H](O)[C@@H]1NC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CO)NC(=O)[C@@H]2CCN=C3C(NC(=O)CCC(=O)O)=CC4=C(C=C(O)C(O)=C4)N32)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O
MNX internals
InChI (mnx)InChI=1/C55H83N17O22/c1-27(77)43-53(91)59-15-4-3-8-30(46(84)63-33(11-7-19-71(94)26-76)49(87)68-44(28(2)78)54(92)69-43)62-47(85)32(10-6-18-70(93)25-75)65-50(88)35(23-73)66-48(86)31(9-5-16-60-55(56)57)64-51(89)36(24-74)67-52(90)37-14-17-58-45-34(61-41(81)12-13-42(82)83)20-29-21-39(79)40(80)22-38(29)72(37)45/h20-22,25-28,30-33,35-37,43-44,73-74,77-80,93-94H,3-19,23-24H2,1-2H3,(H,59,91)(H,61,81)(H,62,85)(H,63,84)(H,64,89)(H,65,88)(H,66,86)(H,67,90)(H,68,87)(H,69,92)(H,82,83)(H4,56,57,60)/t27-,28-,30+,31+,32+,33+,35-,36-,37+,43+,44+/m1/s1 Image of MNXM740312
SMILES (mnx)[CH3:1][C@H:27]([C@H:43]1[C:53]([OH:91])=[N:59][CH2:15][CH2:4][CH2:3][CH2:8][C@H:30]([N:62]=[C:47]([C@H:32]([CH2:10][CH2:6][CH2:18][N:70]([CH:25]=[O:75])[OH:93])[N:65]=[C:50]([C@@H:35]([CH2:23][OH:73])[N:66]=[C:48]([C@H:31]([CH2:9][CH2:5][CH2:16][NH:60][C:55](=[NH:56])[NH2:57])[N:64]=[C:51]([C@@H:36]([CH2:24][OH:74])[N:67]=[C:52]([C@@H:37]2[CH2:14][CH2:17][N:58]=[C:45]3[C:34]([N:61]=[C:41]([CH2:12][CH2:13][C:42](=[O:82])[OH:83])[OH:81])=[CH:20][C:29]4=[CH:21][C:39]([OH:79])=[C:40]([OH:80])[CH:22]=[C:38]4[N:72]23)[OH:90])[OH:89])[OH:86])[OH:88])[OH:85])[C:46]([OH:84])=[N:63][C@@H:33]([CH2:11][CH2:7][CH2:19][N:71]([CH:26]=[O:76])[OH:94])[C:49]([OH:87])=[N:68][C@@H:44]([C@@H:28]([CH3:2])[OH:78])[C:54]([OH:92])=[N:69]1)[OH:77]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80048
chebi:80048
kegg.compound:C15718
keggC:C15718
CVWNSOHSMMCZJU-YYVBLSOISA-N 		Pyoverdine I

seed.compound:cpd11359
seedM:cpd11359
CVWNSOHSMMCZJU-YYVBLSOISA-O 		Pyoverdine I
PVDI
pyoverdine I
pyoverdine type I
pyoverdinePAO

keggC:M_C15718
seedM:M_cpd11359 		secondary/obsolete/fantasy identifier