CHEBI:29657 - Nosiheptide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Nosiheptide
ChEBI ID CHEBI:29657
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C51H43N13O12S6
Net Charge 0
Average Mass 1222.340
Monoisotopic Mass 1221.14784
InChI InChI=1S/C51H43N13O12S6/c1-5-23-46-60-28(14-79-46)41(70)56-25-10-33(67)50(74)76-11-21-7-6-8-24-34(21)18(2)35(54-24)51(75)82-17-31(57-42(71)29-15-80-47(25)61-29)48-58-26(12-78-48)37-22(45-59-30(13-77-45)43(72)64-36(20(4)65)44(73)55-23)9-32(66)38(63-37)49-62-27(16-81-49)40(69)53-19(3)39(52)68/h5-9,12-16,20,25,31,33,36,54,65-67H,3,10-11,17H2,1-2,4H3,(H2,52,68)(H,53,69)(H,55,73)(H,56,70)(H,57,71)(H,64,72)/b23-5-/t20-,25-,31+,33?,36+/m1/s1
InChIKey OQAOHXRUMXWDLQ-HWXLCPHQSA-N
SMILES C\C=C1/NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)[C@@H]2CSC(=O)c3[nH]c4cccc(COC(=O)C(O)C[C@@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)c4c3C)-c1nc(cs1)C(=O)NC(=C)C(N)=O)[C@@H](C)O
ChEBI Ontology
Outgoing Nosiheptide (CHEBI:29657) is a polyol (CHEBI:26191)
Synonym Source
Nosiheptide KEGG COMPOUND
Manual Xrefs Databases
C00000752 KNApSAcK
C12053 KEGG COMPOUND
D02392 KEGG DRUG
View more database links
Registry Number Type Source
56377-79-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014