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CHEBI:220172 - Thioalbamide

ChEBI IDCHEBI:220172
ChEBI NameThioalbamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H97N14O11S4
Net Charge+1
Average Mass1330.802
Monoisotopic Mass1329.63386
SMILESCCC(C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=S)[C@H](C)NC(=S)[C@H](Cc2ccccc2O)NC(=O)CNC(=O)[C@@H](NC(=S)[C@@H](NC(=O)C(C)O)C(C)C)C(C)CC)C(C)C)[C@@H](C)SC=CNC(=O)[C@H](Cc2c[n+](C)cn2C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C61H96N14O11S4/c1-17-33(9)48(73-61(89)47(32(7)8)69-52(80)37(13)76)54(82)63-27-44(78)66-42(25-39-21-19-20-22-43(39)77)60(88)65-36(12)59(87)72-46(31(5)6)56(84)71-50-38(14)90-24-23-62-53(81)41(26-40-28-74(15)29-75(40)16)67-55(83)45(30(3)4)68-51(79)35(11)64-57(85)49(34(10)18-2)70-58(50)86/h19-24,28-38,41-42,45-50,76H,17-18,25-27H2,1-16H3,(H12-,62,63,64,65,66,67,68,69,70,71,72,73,77,78,79,80,81,82,83,84,85,86,87,88,89)/p+1/t33?,34?,35-,36-,37?,38+,41-,42-,45-,46-,47-,48-,49-,50-/m0/s1
InChIKeyOYDVQENXJWICBU-JNIXIUMKSA-O
Species of MetaboliteComponentSourceComments
Amycolatopsis alba DSM 44262 (ncbitaxon:1125972) - PubMed (28968491)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Thioalbamide (CHEBI:220172) is a polypeptide (CHEBI:15841)