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CHEBI:212895 - Trichormamide C

ChEBI IDCHEBI:212895
ChEBI NameTrichormamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H114N14O18
Net Charge0
Average Mass1379.707
Monoisotopic Mass1378.84355
SMILESCCCCCCC[C@@H]1CC(=O)N[C@@H](C(C)C)C(=O)N[C@H]([C@@H](O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1
InChIInChI=1S/C65H114N14O18/c1-16-18-19-20-21-23-39-29-46(84)73-47(32(5)6)59(91)77-50(53(85)33(7)8)61(93)68-36(12)55(87)76-51(54(86)34(9)10)62(94)70-40(25-26-44(66)82)64(96)78(15)52(35(11)17-2)63(95)72-42(30-45(67)83)57(89)75-49(38(14)81)65(97)79-27-22-24-43(79)58(90)71-41(28-31(3)4)56(88)74-48(37(13)80)60(92)69-39/h31-43,47-54,80-81,85-86H,16-30H2,1-15H3,(H2,66,82)(H2,67,83)(H,68,93)(H,69,92)(H,70,94)(H,71,90)(H,72,95)(H,73,84)(H,74,88)(H,75,89)(H,76,87)(H,77,91)/t35-,36-,37+,38+,39+,40-,41+,42+,43-,47-,48-,49-,50+,51+,52-,53-,54-/m0/s1
InChIKeyQIMJZYCZFCUBDB-WIOVDTPFSA-N
Species of MetaboliteComponentSourceComments
Oscillatoriaspecies UIC 10045 (ncbitaxon:1386951) - PubMed (26001342)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Trichormamide C (CHEBI:212895) is a oligopeptide (CHEBI:25676)
IUPAC Name 
3-[(3S,6R,9S,12S,15R,18S,21R,24S,28R,31S,34R,37S)-6-(2-amino-2-oxoethyl)-9-[(2S)-butan-2-yl]-28-heptyl-3,31-bis[(1R)-1-hydroxyethyl]-15,21-bis[(1S)-1-hydroxy-2-methylpropyl]-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
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