CHEBI:220453 - Prezeamine I

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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 Prezeamine I
ChEBI ID CHEBI:220453
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
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Formula C69H129N15O12
Net Charge 0
Average Mass 1360.884
Monoisotopic Mass 1359.99451
InChI InChI=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
InChIKey DZSJXBQAXBOADW-CIHCJJGYSA-N
SMILES O=C1N[C@H](C(=O)N[C@@H](C(=O)N[C@H]([C@@H](O)CC(=O)NCCC(O)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCC)C(C)C)[C@H](NC(C[C@H]1NC(=O)[C@@H](NC(=O)C[C@H](N)C(=O)O)CC=2NC=NC2)=O)C)CC(=O)N
Metabolite of Species Details
Serratia plymuthica RVH1 (NCBI:txid1006598) 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 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