CHEBI:210360 - Ncp-E1

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ncp-E1
ChEBI ID CHEBI:210360
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H52N8O9
Net Charge 0
Average Mass 776.892
Monoisotopic Mass 776.38573
InChI InChI=1S/C39H52N8O9/c1-3-23(2)34-38(55)45-30(22-48)39(56)47-17-7-10-31(47)37(54)43-26(18-24-8-5-4-6-9-24)20-41-29(19-25-11-13-27(49)14-12-25)35(52)42-21-33(51)44-28(36(53)46-34)15-16-32(40)50/h4-6,8-9,11-14,20,23,26,28-31,34,48-49H,3,7,10,15-19,21-22H2,1-2H3,(H2,40,50)(H,42,52)(H,43,54)(H,44,51)(H,45,55)(H,46,53)
InChIKey HQOVNNILDNLNSB-UHFFFAOYSA-N
SMILES O=C1N2C(C(=O)NC(C=NC(C(=O)NCC(NC(C(NC(C(NC1CO)=O)C(CC)C)=O)CCC(=O)N)=O)CC3=CC=C(O)C=C3)CC4=CC=CC=C4)CCC2
Metabolite of Species Details
Nostoc edaphicum CCNP1411 (NCBI:txid1472755) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ncp-E1 (CHEBI:210360) is a oligopeptide (CHEBI:25676)
IUPAC Name
3-[18-benzyl-6-butan-2-yl-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide