EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227132 - [des-Gly11]acyclolaxaphycin A

ChEBI IDCHEBI:227132
ChEBI Name[des-Gly11]acyclolaxaphycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H97N11O15
Net Charge0
Average Mass1200.487
Monoisotopic Mass1199.71656
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)NC(=O)O)[C@@H](C)CC)[C@@H](C)CC
InChIInChI=1S/C59H97N11O15/c1-11-15-17-22-38(60)30-47(74)61-41(23-25-71)50(75)62-40(14-4)58(83)70-32-39(73)31-46(70)55(80)63-42(24-26-72)51(76)65-45(29-37-20-18-16-19-21-37)52(77)64-43(27-33(5)6)53(78)67-49(36(10)13-3)57(82)68-48(35(9)12-2)56(81)66-44(28-34(7)8)54(79)69-59(84)85/h14,16,18-21,33-36,38-39,41-46,48-49,71-73H,11-13,15,17,22-32,60H2,1-10H3,(H,61,74)(H,62,75)(H,63,80)(H,64,77)(H,65,76)(H,66,81)(H,67,78)(H,68,82)(H,69,79)(H,84,85)/b40-14+/t35-,36-,38+,39+,41-,42-,43+,44-,45+,46-,48+,49-/m0/s1
InChIKeyHPTJSPDQCNYHJA-CIYMGBEJSA-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)
[des-Gly11]acyclolaxaphycin A (CHEBI:227132) is a peptide (CHEBI:16670)
IUPAC Name 
[(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]carbamic acid