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CHEBI:227771 - Acyclolaxaphycin B

ChEBI IDCHEBI:227771
ChEBI NameAcyclolaxaphycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H116N14O20
Net Charge0
Average Mass1413.721
Monoisotopic Mass1412.84903
SMILESCCCCCCC[C@H](CC(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](O)C(C)C)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H](C)N)[C@@H](O)C(C)C)[C@@H](O)C(N)=O)[C@@H](C)O)[C@@H](C)O
InChIInChI=1S/C65H116N14O20/c1-16-18-19-20-21-23-38(29-43(83)72-44(31(5)6)58(91)77-49(65(98)99)52(85)33(9)10)69-59(92)45(36(13)80)73-56(89)40(28-30(3)4)71-57(90)41-24-22-27-79(41)64(97)46(37(14)81)74-61(94)48(53(86)54(68)87)76-62(95)50(34(11)17-2)78(15)63(96)39(25-26-42(67)82)70-60(93)47(51(84)32(7)8)75-55(88)35(12)66/h30-41,44-53,80-81,84-86H,16-29,66H2,1-15H3,(H2,67,82)(H2,68,87)(H,69,92)(H,70,93)(H,71,90)(H,72,83)(H,73,89)(H,74,94)(H,75,88)(H,76,95)(H,77,91)(H,98,99)/t34-,35-,36+,37+,38+,39-,40+,41-,44-,45-,46-,47+,48+,49+,50-,51-,52-,53+/m0/s1
InChIKeyARBTXEGGGLHUPG-FYHKVEBYSA-N
Species of MetaboliteComponentSourceComments
Anabaena torulosa (ncbitaxon:156211) - PubMed (26690181)
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 B (CHEBI:227771) is a peptide (CHEBI:16670)
IUPAC Name 
(2R,3S)-2-[[(2S)-2-[[(3R)-3-[[(2S,3R)-2-[[(2R)-2-[[(2S)-1-[(2S,3R)-2-[[(2R,3R)-4-amino-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2R,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxy-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]-3-methylpentanoyl]amino]-3-hydroxy-4-oxobutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]decanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-4-methylpentanoic acid
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