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CHEBI:224577 - Sch-217048

ChEBI IDCHEBI:224577
ChEBI NameSch-217048
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SubmitterMetaboLights
DownloadsMolfile
FormulaC57H88N10O14
Net Charge0
Average Mass1137.387
Monoisotopic Mass1136.64815
SMILESCCC(C)C1NC(=O)C(CCC(N)=O)N(C)C(=O)C(C(C)C)N(C)C(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C(C)CC)OC(=O)C(CCC(=O)O)N(C)C(=O)C(C(C)C)NC(=O)C2CCCCN2C1=O
InChIInChI=1S/C57H88N10O14/c1-12-34(7)46-55(78)67-28-18-17-22-40(67)51(74)61-45(32(3)4)54(77)64(10)41(25-27-44(70)71)57(80)81-48(35(8)13-2)52(75)60-37(30-36-20-15-14-16-21-36)53(76)66-29-19-23-39(66)49(72)59-31-43(69)65(11)47(33(5)6)56(79)63(9)38(50(73)62-46)24-26-42(58)68/h14-16,20-21,32-35,37-41,45-48H,12-13,17-19,22-31H2,1-11H3,(H2,58,68)(H,59,72)(H,60,75)(H,61,74)(H,62,73)(H,70,71)
InChIKeyDJDJISZVDIETFI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Sch-217048 (CHEBI:224577) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[6-(3-amino-3-oxopropyl)-21-benzyl-3,24-di(butan-2-yl)-7,10,28-trimethyl-2,5,8,11,14,20,23,26,29,32-decaoxo-9,30-di(propan-2-yl)-25-oxa-1,4,7,10,13,19,22,28,31-nonazatricyclo[31.4.0.015,19]heptatriacontan-27-yl]propanoic acid
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