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CHEBI:220453 - Prezeamine I

ChEBI IDCHEBI:220453
ChEBI NamePrezeamine I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC69H129N15O12
Net Charge0
Average Mass1360.884
Monoisotopic Mass1359.99451
SMILESCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(O)CCNC(=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/C69H129N15O12/c1-5-6-19-28-48(70)29-20-11-7-12-21-30-49(71)31-22-13-8-14-23-32-50(72)33-24-15-9-16-25-34-51(73)35-26-17-10-18-27-36-53(85)37-38-77-60(88)43-58(86)63(46(2)3)83-68(94)64-47(4)79-62(90)42-57(66(92)81-56(41-59(75)87)67(93)84-64)82-65(91)55(39-52-44-76-45-78-52)80-61(89)40-54(74)69(95)96/h44-51,53-58,63-64,85-86H,5-43,70-74H2,1-4H3,(H2,75,87)(H,76,78)(H,77,88)(H,79,90)(H,80,89)(H,81,92)(H,82,91)(H,83,94)(H,84,93)(H,95,96)/t47-,48?,49?,50?,51?,53?,54+,55+,56+,57-,58+,63+,64-/m1/s1
InChIKeyDZSJXBQAXBOADW-CIHCJJGYSA-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 I (CHEBI:220453) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-amino-4-[[(2S)-1-[[(2R,3R,6S,9R)-6-(2-amino-2-oxoethyl)-3-[[(3S,4S)-4-hydroxy-2-methyl-6-oxo-6-[(11,19,27,35-tetraamino-3-hydroxytetracontyl)amino]hexan-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