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Compounds

COMPOUND NPA030023

STRUCTURE
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EXTERNAL LINKS
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PROPERTIES
NPAID NPA030023
CLUSTER ID 8809
NODE ID 5943
NAME Acyclolaxaphycin B
FORMULA C65H116N14O20
MOLECULAR WEIGHT (Da) 1413.7210
ACCURATE MASS (Da) 1412.8490
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Anabaena
ORIGIN SPECIES torulosa
InChIKey ARBTXEGGGLHUPG-FYHKVEBYSA-N
InChI InChI=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
SMILES CCCCCCC[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
ORIGINAL ISOLATION REFERENCE
CITATION Bornancin, L; Boyaud, F; Mahiout, Z; Bonnard, I; Mills, SC; Banaigs, B; Inguimbert, N Isolation and Synthesis of Laxaphycin B-Type Peptides: A Case Study and Clues to Their Biosynthesis. Marine Drugs 2015 13 (12) 7285-7300.
DOI 10.3390/md13127065 PMID 26690181
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Cyanobacteria LPSN 1117
Class Cyanophyceae LPSN -
Order Nostocales LPSN 1161
Family Aphanizomenonaceae LPSN 1892259
Genus Anabaena LPSN 1163
CLASSYFIRE
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