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CHEBI:227127 - Acyclolaxaphycin A

ChEBI IDCHEBI:227127
ChEBI NameAcyclolaxaphycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H99N11O15
Net Charge0
Average Mass1214.514
Monoisotopic Mass1213.73221
SMILESC/C=C(/NC(=O)[C@H](CCO)NC(=O)C[C@H](N)CCCCC)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCO)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)[C@@H](C)CC)[C@@H](C)CC
InChIInChI=1S/C60H99N11O15/c1-11-15-17-22-39(61)30-48(75)63-42(23-25-72)53(79)64-41(14-4)60(86)71-33-40(74)31-47(71)57(83)65-43(24-26-73)54(80)67-46(29-38-20-18-16-19-21-38)55(81)66-45(28-35(7)8)56(82)69-51(37(10)13-3)59(85)70-50(36(9)12-2)58(84)68-44(27-34(5)6)52(78)62-32-49(76)77/h14,16,18-21,34-37,39-40,42-47,50-51,72-74H,11-13,15,17,22-33,61H2,1-10H3,(H,62,78)(H,63,75)(H,64,79)(H,65,83)(H,66,81)(H,67,80)(H,68,84)(H,69,82)(H,70,85)(H,76,77)/b41-14+/t36-,37-,39+,40+,42-,43-,44-,45+,46+,47-,50+,51-/m0/s1
InChIKeyWSDZDIHEDAEEBI-NZVCJXAPSA-N
Species of MetaboliteComponentSourceComments
Anabaena torulosa (ncbitaxon:156211) - PubMed (30929947)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Acyclolaxaphycin A (CHEBI:227127) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[(2S)-2-[[(2R,3S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,4R)-1-[(E)-2-[[(2S)-2-[[(3R)-3-aminooctanoyl]amino]-4-hydroxybutanoyl]amino]but-2-enoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetic acid
Manual XrefsDatabases
79300777ChemSpider