EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220446 - Prezeamine

ChEBI IDCHEBI:220446
ChEBI NamePrezeamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC71H133N15O13
Net Charge0
Average Mass1404.937
Monoisotopic Mass1404.02073
SMILESCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(O)CCNC(=O)CC(O)C[C@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@H](Cc2cncn2)NC(=O)C[C@H](N)C(=O)O)CC(=O)N[C@@H]1C)C(C)C
InChIInChI=1S/C71H133N15O13/c1-5-6-19-28-49(72)29-20-11-7-12-21-30-50(73)31-22-13-8-14-23-32-51(74)33-24-15-9-16-25-34-52(75)35-26-17-10-18-27-36-54(87)37-38-79-62(91)41-55(88)40-60(89)65(47(2)3)85-70(97)66-48(4)81-64(93)44-59(68(95)83-58(43-61(77)90)69(96)86-66)84-67(94)57(39-53-45-78-46-80-53)82-63(92)42-56(76)71(98)99/h45-52,54-60,65-66,87-89H,5-44,72-76H2,1-4H3,(H2,77,90)(H,78,80)(H,79,91)(H,81,93)(H,82,92)(H,83,95)(H,84,94)(H,85,97)(H,86,96)(H,98,99)/t48-,49?,50?,51?,52?,54?,55?,56+,57+,58+,59-,60+,65-,66-/m1/s1
InChIKeyYSKPBPMQZLMBEW-AVLMPADPSA-N
Species of MetaboliteComponentSourceComments
Serratia plymuthica RVH1 (ncbitaxon:1006598) - PubMed (29560178)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Prezeamine (CHEBI:220446) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-amino-4-[[(2S)-1-[[(2R,3R,6S,9R)-6-(2-amino-2-oxoethyl)-3-[[(3R,4S)-4,6-dihydroxy-2-methyl-8-oxo-8-[(11,19,27,35-tetraamino-3-hydroxytetracontyl)amino]octan-3-yl]carbamoyl]-2-methyl-5,8,11-trioxo-1,4,7-triazacycloundec-9-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid