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CHEBI:202848 - Mannopeptimycin gamma

ChEBI IDCHEBI:202848
ChEBI NameMannopeptimycin gamma
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H86N12O26
Net Charge0
Average Mass1379.395
Monoisotopic Mass1378.57762
SMILESCC(C)CC(=O)O[C@@H]1[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](Oc3ccc(C[C@H]4NC(=O)[C@H]([C@@H](C)c5ccccc5)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]5CN=C(N)N5[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)NC(=O)C([C@@H](O)[C@@H]5CN=C(N)N5)NC4=O)cc3)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C59H86N12O26/c1-22(2)13-35(77)96-49-44(83)42(81)32(20-74)94-57(49)97-48-33(21-75)95-56(47(86)45(48)84)92-26-11-9-24(10-12-26)14-27-51(88)69-37(39(78)28-15-63-58(60)67-28)54(91)70-38(40(79)30-16-64-59(61)71(30)55-46(85)43(82)41(80)31(19-73)93-55)53(90)66-29(18-72)50(87)62-17-34(76)68-36(52(89)65-27)23(3)25-7-5-4-6-8-25/h4-12,22-23,27-33,36-49,55-57,72-75,78-86H,13-21H2,1-3H3,(H2,61,64)(H,62,87)(H,65,89)(H,66,90)(H,68,76)(H,69,88)(H,70,91)(H3,60,63,67)/t23-,27+,28-,29-,30-,31+,32+,33+,36-,37?,38+,39-,40-,41+,42+,43-,44-,45+,46-,47-,48+,49-,55-,56-,57+/m0/s1
InChIKeyLQDGLZHMYAZZLB-PNQUAVNZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (12175230)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Mannopeptimycin gamma (CHEBI:202848) is a oligopeptide (CHEBI:25676)
IUPAC Name 
[(2R,3S,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-6-[4-[[(2R,8R,11S,17S)-5-[(S)-[(5S)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-hydroxymethyl]-8-[(R)-[(4S)-2-amino-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-hydroxymethyl]-11-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-17-[(1S)-1-phenylethyl]-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]phenoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-methylbutanoate
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